<package>
<name>orca</name>
<executable>/opt/orca-4.0.1/orca</executable>
<checkpoint></checkpoint>
<scratch>temp</scratch>
<charge>0</charge>
<spin>1</spin>
<threads>1</threads>
<memory></memory>
<basisset>OPTIONFILES/def2-TZVP.xml</basisset>
<auxbasisset></auxbasisset>
<writebasisset>true</writebasisset>
<writepseudopotentials>false</writepseudopotentials>
<outputVxc>0</outputVxc>
<options>
! DFT PBE NoFinalGrid
%scf
TolE 1e-2
ConvCheckMode 1
Guess MORead
MOInp "dimer.gbw"
end
%output
Print [P_Mayer] 0
Print [P_Mulliken] 0
Print [P_Loewdin] 0
end
</options>
<cleanup></cleanup>
</package>