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! Gamess control file
$CONTRL SCFTYP=UHF MAXIT=200 RUNTYP=surface MULT=1 ICHARG=0
ICUT=9 ITOL=20 INTTYP=best NPRINT=-5 $END
$SCF NCONV=8 dirscf=.t. DAMP=.t. SHIFT=.t. DIIS=.T. SOSCF=.T. npunch=0 $END
$STATPT NSTEP=50 OPTTOL=0.0001 $END
$FORCE VIBANL=.f. PRTIFC=.f. $END
$SYSTEM TIMLIM=10000 MWORDS=250 $END
$BASIS GBASIS=N31 NGAUSS=6 NDFUNC=1 NPFUNC=1 DIFFSP=.t. $END
$DFT DFTTYP=B3LYP $END
$SURF ivec1(1)=1,2 igrp1(1)=2,3,4
orig1=-0.39320871546 disp1=0.01191541562 ndisp1=50 $END
$DATA
*** Parm Gen for H-B
C1
ALPH 1. 0.0000000 0.0000000 0.3715416
BETA 5. -0.0000000 -0.0000000 -0.8200000
H 1. -0.0000000 -1.0334979 -1.4100000
H 1. -0.0000000 1.0334979 -1.4100000
$END
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