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! EXAM 18.
! diatomic P2...analytic hessian using effective core potential
! See Stevens,Basch,Krauss, J.Chem.Phys. 81,6026-33(1984).
! GAMESS FINAL E= -12.6956518722, with vibrational FREQ=913.17
! A separate run gives E(P)= -6.32635, so De= 26.95 kcal/mol
!
$CONTRL SCFTYP=RHF RUNTYP=HESSIAN PP=SBKJC NZVAR=1 $END
$SYSTEM TIMLIM=1 $END
$GUESS GUESS=HUCKEL $END
$ZMAT IZMAT(1)=1,1,2 $END
$DATA
diatomic phosphorous
Dnh 4

PHOSPHORUS 15.0 0.0000000000 0.0000000000 0.9393077548
SBKJC
D 1
1 0.45 1.0

$END