! 
!    1-A-1 H2O    RHF + MP2 gradient calculation.
!
 $CONTRL SCFTYP=RHF MPLEVL=2 RUNTYP=ENERGY $END
 $SYSTEM TIMLIM=5 MEMORY=700000 $END
 $BASIS  GBASIS=N311 NGAUSS=6 NDFUNC=3 NFFUNC=1 NPFUNC=2 $END
 $GUESS  GUESS=HUCKEL $END
 $DATA
Water ... exp.geom...R(OH)=0.95781,A(HOH)=104.4776
Cnv      2

OXYGEN      8.0   0.0000000000   0.0000000000  -0.0041839553
HYDROGEN    1.0   0.0000000000   0.7523311039   0.5886277776
 $END