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! EXAM 20.
! Optimize an orbital exponent.
! The SBKJC basis for I consists of 5 gaussians, in a -41
! type split. The exponent of a diffuse L shell for
! iodide ion is optimized (6th exponent overall). The
! optimal exponent turns out to be 0.036713, with a
! corresponding FINAL energy of -11.3010023066
!
$CONTRL SCFTYP=RHF RUNTYP=TRUDGE ICHARG=-1 PP=SBKJC $END
$SYSTEM TIMLIM=1 $END
$TRUDGE OPTMIZ=BASIS NPAR=1 IEX(1)=6 $end
$GUESS GUESS=HUCKEL $END
$DATA
I- ion
Dnh 2

Iodine 53.0
SBKJC
L 1
1 0.02 1.0

$END