! EXAM24.
! Self-consistent reaction field test, of water in water.
! Cavity radius is calculated from the 1.00 g/cm**3 density.
! FINAL energy is -74.9666740766 after 12 iterations
! Induced dipole= -0.03663, RMS gradient= 0.033467686
!
$contrl scftyp=rhf runtyp=gradient coord=zmt $end
$system timlim=1 $end
$basis gbasis=sto ngauss=3 $end
$guess guess=huckel $end
$scrf radius=1.93 dielec=80.0 $end
$data
water in water, arbitrary geometry
Cnv 2
O
H 1 rOH
H 1 rOH 2 aHOH
rOH = 0.95
aHOH = 104.5
$end

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Link to the log file of this example.

exam24 Log File

created on 6/20/2013