! EXAM07.
!    1-A' HPO    RHF calculation using GAMESS.
!    This job tests the HONDO integral and gradient package,
!    due to the d function on phosphorus.  The input also
!    illustrates the use of a more flexible basis set than
!    the methylene examples.
!    Although HUCKEL would be better, HCORE is tested.
!
!    The initial energy is -397.591203190,
!    the FINAL E= -414.0945320827 after 18 iterations,
!    The dipole moment is 2.535169.
!    The RMS gradient is 0.023723712.
!
 $CONTRL SCFTYP=RHF RUNTYP=GRADIENT $END
 $SYSTEM TIMLIM=1 $END
 $GUESS  GUESS=HCORE $END
 $DATA
HP=O ... 3-21+G* RHF calculation at STO-2G* geometry
Cs
 
Phosphorus 15.0
  N21 3
  L 1
    1 0.039  1.0  1.0
  D 1
    1 0.55   1.0
 
Oxygen    8.0       1.439
  N21  3
 
Hydrogen  1.0      -0.3527854           1.36412
  N21 3
 
 $END

Link to the log file of this example.
exam07 Log File


created on 6/20/2013