CCL:G: G03 does not read pseudo

[rafapa-*-us.es]

 Sent to CCL by: rafapa]|[us.es
 Dear Silvina,
the basis set and pseudopotential should be input in the following
 format.
 C O H 0
 6-311++G(d,p)
 ****
 Pt 0
 mwb 60
 ****
 Pt 0
 mwb 60
Only one blank line after the basis and no asterix after the pseudo
 just another blank line.
 Sincerely,
 Dr. Rafael R. Pappalardo
 Physical Chemistry Dept., Univ. de Sevilla (Spain)
On Sat, 4 Feb 2012 17:33:22 -0500, Silvina Bieza
 silvinabieza[*]gmail.com wrote:
>  Sent to CCL by: "Silvina  Bieza" [silvinabieza^^gmail.com]
>  Hello list,
> I am experiencing some problems with a G03 calculation. This is my
>  input:
>  %chk=primero.chk
>  #p b3lyp/genecp opt(maxcyc=100) scf(xqc,maxconventionalcyc=1000) freq
>  Primero
>  0 1
>   Pt
>   Pt                 1    2.60928411
>   Pt                 1    2.60965373    2   63.48738392
>  Pt                 1    2.59752708    2   60.15835847    3
>  -69.19506150
>   H                  3            B1    1            A1    4
>  D1
>   C                  3            B2    1            A2    4
>  D2
>   O                  6            B3    3            A3    1
>  D3
>   H                  7            B4    6            A4    3
>  D4
>   H                  3            B5    1            A5    4
>  D5
>   H                  6            B6    3            A6    1
>  D6
>     B1             2.61248506
>     B2             1.76404071
>     B3             1.43000000
>     B4             0.96000000
>     B5             1.94502428
>     B6             1.07000000
>     A1            96.31367000
>     A2            98.08570784
>     A3           134.48029962
>     A4           158.58000000
>     A5           108.58589901
>     A6            69.84936514
>     D1           -20.04613476
>     D2            -2.52843005
>     D3           174.01972651
>     D4          -103.92385498
>     D5            29.78441690
>     D6          -163.49304823
>  C O H 0
>  6-311++G(d,p)
>  ****
>  Pt 0
>  mwb 60
>  ****
>  Pt 0
>  mwb 60
>  ****
>  I believe that it is not reading the pseudopotential. When it reads
>  the basis (from the output):
>  General basis read from cards:  (5D, 7F)
>   Centers:   6  7  5  8  9 10
>   6-311++G(d,p)
>   ****
>   Centers:   1  2  3  4
>   mwb60
>   ****
>  But then...
>   1         78
>                      2.680048 -1.455240  1.060615
>                                     No pseudopotential on this center.
>  And. This the warning I get in the output:
> Warning!  Pt atom    1 has 78 valence electrons but only  36 basis
>  functions.
>   This is less than a minimal basis set!
>  I think there is something wrong in the input. Can you help me?
>  Thank you very much,
>  Silvina
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