File: MoOCl4-sp.in

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TITLE
MoOCl4 singlepoint with ECP
CHARGE -2
GEOMETRY BOHR
     0.000325    -0.000325     0.051810		42.00 Mo
     0.000206    -0.000206     1.741504          8.00 O
     1.711727    -1.711727    -0.659846		17.00 Cl
    -1.710992    -1.711738    -0.660079		17.00 Cl
    -1.711004     1.711004    -0.660311		17.00 Cl
     1.711738     1.710992    -0.660079		17.00 Cl
END
BASIS
ECP Mo LANL2
ECP Cl LANL2
DZP O
END
RUNTYPE SCF
PSEUDO ECP
Mo LANL2 Mo
Cl LANL2 Cl
ENTER