CCL: BASNAM GAMESS Issue

 Sent to CCL by: "Salter-Duke, Brian James -"
 [brian.james.duke\a/gmail.com]
 There are several errors as detailed below:-
 On Sat, Feb 09, 2013 at 12:39:26PM -0500, Daniel Chaves Claudino
 dclaudino###ufl.edu wrote:
 >
 > Sent to CCL by: "Daniel Chaves Claudino" [dclaudino()ufl.edu]
 > Hello.
 > I'm trying to run the following input using GAMESS, but for some reason I
 > don't understand, it does not work:
 >
 >  $CONTRL SCFTYP=RHF RUNTYP=OPTIMIZE DFTTYP=B3LYP PP=READ mult=1 ISPHER=1
 $END
 >  $STATPT OPTTOL=0.0001 NSTEP=20 $END
 >  $GUESS GUESS=HUCKEL $END
 >  $BASIS
 >
 BASNAM(1)=Niatom,Natom,Natom,Catom,Hatom,Catom,Hatom,Hatom,Hatom,Catom,Hatom,
 > Hatom,Hatom,Catom,Hatom,Hatom,Hatom. $END
                                      ^  remove that full-stop
 When I ran your data it found that specifically, not the error you got.
 >  $DATA
 > Ni(CH3)2C2H4N2
 > C1
 >
 remove the blank line after C1 - blank lines not after C1 - only other
 symmetry.
 > NICKEL      28.0     0.43576     0.43833     2.46695
 > NITROGEN     7.0     1.62246     0.83014     0.98008
 > NITROGEN     7.0    -0.79588    -0.23624     1.09788
 > CARBON       6.0     1.09991     0.46627    -0.40343
 > HYDROGEN     1.0     2.62248     0.53479     1.09322
 > CARBON       6.0    -0.32699    -0.18126    -0.33556
 > HYDROGEN     1.0    -1.77815     0.13119     1.12516
 > HYDROGEN     1.0     1.10840     1.34572    -1.11771
 > HYDROGEN     1.0    -1.08310     0.29823    -1.04438
 > CARBON       6.0    -0.97207    -0.05358     4.03815
 > HYDROGEN     1.0    -0.69776     0.18252     5.10578
 > HYDROGEN     1.0    -1.27725    -1.13061     4.16406
 > HYDROGEN     1.0    -2.00328     0.41129     4.01363
 > CARBON       6.0     1.85846     1.28407     3.99448
 > HYDROGEN     1.0     2.85489     1.72099     3.68307
 > HYDROGEN     1.0     2.27036     0.62578     4.82816
 > HYDROGEN     1.0     1.55295     2.14157     4.67926
 > $END
 add space before $END
 >
 >  $Niatom
 > SBKJC
 balnk line needed before $END here and in the others.
 >  $END
 >
 >  $Natom
 > N31 6
 > D 1
 >  1 0.913 1.0
 >  $END
 >
 >  $Catom
 > N31 6
 > D 1
 >  1 0.626 1.0
 >  $END
 >
 >  $Hatom
 > N31 6
 >  $END
 >
 >  $ECP
 > Ni-ECP SBKJC
 > None for the other
 What do you mean by "None for the other" - just blank?
 Have fun.
 Brian.
 >  $END
 >
 > The output shows:
 >
 > INCORRECT DATA VALUE FOUND
 >  **** ERROR READING INPUT GROUP $BASIS    *****
 >  THE PROBLEM IS WITH THIS INPUT LINE, NEAR THE X MARKER
 >  $DATA
 >    X
 >  THE ONLY KEYWORDS ACCEPTED IN THIS GROUP ARE:
 >   GBASIS    NGAUSS    NPFUNC    NDFUNC    NFFUNC    DIFFSP
 >   DIFFS     POLAR     SPLIT2    SPLIT3    EXTFIL    BASNAM
 >  SYNTAX ERROR FOUND IN YOUR $BASIS GROUP
 >
 > I would really appreciate if someone could help me.
 > Thanks in advance!
 >
 > Daniel>
 --
    Brian Salter-Duke (Brian Duke)   Brian.Salter-Duke~~monash.edu
                     Adjunct Associate Professor
             Monash Institute of Pharmaceutical Sciences
       Monash University Parkville Campus, VIC 3052, Australia