CCL:G: Re2:Gaussian error/basis sets

 Sent to CCL by: "Ol  Ga" [eurisco1]_[pochta.ru]
 Dear Sachin Tyagi,
 I prepared special for you an example.  Please, see it below.  I think you were
 better to include your input (possible a part of your input) in your first
 message.
 Sincerely,
 Ol Ga
 For instance,
 # hf/gen  6D 10F NoSymm pseudo=read opt
 Title Card Required
 0 2
  Cu                -1.12321078   -0.95203662    2.44003108
  I                  1.37678922   -0.95203662    2.44003108
  C                 -3.06321078   -0.95203662    2.44003108
  C                 -3.76073222   -1.87998583    3.21388218
  C                 -3.76071639   -0.02430264    1.66650427
  C                 -5.15544414   -1.88056468    3.21362180
  H                 -3.21053918   -2.61175996    3.82300944
  C                 -5.15585427   -0.02411075    1.66689774
  H                 -3.21111910    0.70725181    1.05666828
  C                 -5.85327558   -0.95211409    2.44017023
  H                 -5.70530701   -2.61235963    3.82306703
  H                 -5.70553927    0.70775084    1.05722633
  C                 -7.39327534   -0.95296913    2.44017045
  H                 -7.74957292   -1.61744596    1.68094546
  H                 -7.74976084   -1.27853559    3.39506551
  H                 -7.75049164    0.03648011    2.24450053
 {blank line}
  14 15 16 0
  sto-3g
 ****
  13 0
  SVP
 ****
  11 12 7 9 0
  svp
 ****
  3 4 5 6 8 10 0
  TZV
 ****
  1 0
  lanl2dz
 ****
  2 0
  SVP
 ****
 {blank line}
  1 0
  lanl2dz
 > Sent to CCL by: Sachin Tyagi [sachintyagi1]=[gmail.com]
 > Hi Ol Ga,
 >     Thanks for your reply, I tried the way u suggested me but I am still
 > getting the same error
 > General basis read from cards:  (5D, 7F)
 >   WANTED AN INTEGER AS INPUT.
 >   FOUND A FLOATING POINT NUMBER AS INPUT.
 >   1 2 1.0 5 2.0 22 1.0
 >
 >
 >
 >      ?
 >  Error termination via Lnk1e in /usr/common/g03/l301.exe
 > If you want I can send you my input file as well. Please help, thanks in
 advance...
 > Sachin
 > Ol Ga eurisco1%x%pochta.ru wrote:
 >> Sent to CCL by: "Ol  Ga" [eurisco1_+_pochta.ru]
 >> Dear sachin  Tyagi,
 >>
 >> About your input :  you should use keyword pseudo=read in addition of
 GEN. I made some threads in CCL about this subject, e.g.
 >> http://www.ccl.net/chemistry/resources/messages/2008/07/14.004-dir/index.html
 >>
 >> http://www.ccl.net/cgi-bin/ccl/message-new?2008+07+14+007+raw
 >>
 >> and, please, dont forget to type 6d 10f (explicit  definitions are more
 reliable) if you use  6-31G* basis set.
 >> Obviously, you can find in CCL many other messages of CCLers with
 correct route cards in similar cases.
 >>
 >> What ECP + basis set(s) are you better to use? It is difficult to
 answer. But there are general suggestions: dont forget polarization functions;
 triple exponential basis sets are more reliable than bi-exponential basis sets;
 possible, ECP (small core) from Stuttgart-Dresden group in more reliable than
 ECP from Los-Alamos.
 >>
 >> Sincerely,
 >>
 >> Ol Ga
 >>
 >>> Sent to CCL by: "sachin  Tyagi" [styagi2,uic.edu]
 >>> Could any body please tell me how to assign different basis sets
 >>> for different atoms. I read in few books and checked some sample
 >>> input file and I tried using Keyword GEN and at the end of molecule
 >>> specifications I assigned the basis sets, (6-31G, LanL2DZ). But I
 am getting the following error:
 >>> General basis read from cards:  (5D, 7F)
 >>>   WANTED AN INTEGER AS INPUT.
 >>>   FOUND A FLOATING POINT NUMBER AS INPUT.
 >>>   1 2 1.0 5 2.0 22 1.0
 >>>
 >>>
 >>>
 >>>      ?
 >>>  Error termination via Lnk1e in /usr/common/g03/l301.exe at Fri Nov
 21
 >>>
 >>
 >>
 >>> It would be a great help if you could suggest me what basis sets
 >>> should I be using for Iodine and transition metal atoms (Rhodium
 and Copper).
 >>> Thanks
 >>> Regards
 >>> Sachin>