#! /bin/sh


$ADFBIN/adf  << eor
Title hfs H2PO B3LYP TZ2P
Atoms
    O   1.492  0.000  0.000
    P   0.000  0.000  0.000
    H  -0.600 -0.650  1.100
    H  -0.600 -0.650 -1.100
End

xc
 hybrid B3LYP
end

Basis
 Type TZ2P
 Core None
End

NumericalQuality good

RIHartreeFock
   UseMe True
   Quality Normal
   DependencyThreshold 1E-4
End

esr
end
unrestricted
charge 0 1

end input
eor

rm TAPE21 logfile

$ADFBIN/adf  << eor
Title hfs H2PO B3LYP QZ4P
Atoms
    O   1.492  0.000  0.000
    P   0.000  0.000  0.000
    H  -0.600 -0.650  1.100
    H  -0.600 -0.650 -1.100
End

xc
 hybrid B3LYP
end

Basis
 Type ZORA/QZ4P
 Core None
End

RIHartreeFock
   UseMe True
   Quality Normal
   DependencyThreshold 1E-4
End

NumericalQuality good

esr
end
unrestricted
charge 0 1

end input
eor

rm TAPE21 logfile