Subject: gamess input $DATA error

From: "Helen Howard-Jones" <[email-masked]>
Date: Thu, 17 Oct 2002 10:28:36 +0100

I am having problems with inputting into gamess, after submitting the benzene job below:

$CONTRL COORD=CART UNITS=ANGS scftyp=ROB3LYP runtyp=optimize chrg=0
mult=1 $END $basis Gbasis=31 nauss=6 ndfunc=1 polar=1 $END
$DATA
optimisation of benzene:rob3lyp
cnv naxis=6
C    6.0     1.40304   0.00000   0.00000
C    6.0     0.70011   1.21751   0.00000
C    6.0    -0.68795   1.21751   0.00000
C    6.0    -1.39034   0.00092   0.00000
C    6.0    -0.68873  -1.21431   0.00000
C    6.0     0.69814  -1.21431   0.00000
H    1.0     2.48465   0.00000   0.00000
H    1.0     1.24065   2.15375   0.00000
H    1.0    -1.37005   2.39894   0.00000
H    1.0    -2.47209   0.00092   0.00000
H    1.0    -1.22991  -2.15166   0.00000
H    1.0     1.23711  -2.15294   0.00000
$END
$SCF dirscf=.true.$end

which the job submits but then crashes out giving the error no $DATA group, I am also wanting to submit a structure with dummy atoms also and usually run jobs in internal coors (in G98w) any help is gratefully received.

Helen