Sent to CCL by: "Oscar Julian
Astudillo" [osastudi..icaro.dic.uchile.cl]
Dear members.
I'm trying to run a calculation in gaussian 03, but i want to use
different basis sets for the components. I want to use the Lanl2DZ
basis set for the molybdenum atoms and 6-31G** for the others (C,
H, O, and F). I don't know hoy to do that. I read the help, but i
can't start the job.
This is the error message:
WANTED AN INTEGER AS INPUT.
FOUND A STRING AS INPUT.
C H O F 0
This is the input file:
======================================================================
=========
%chk=F:/Mo4TFa8Dioxane/Mo4TFa8/Lanl2DZ(DF).chk
%mem=1225Mb
%nproc=1
Will use up to 1 processors via shared memory.
Default route: MaxDisk=10000MB
-----------------------------------------
p b3lyp/Gen guess=save geom=connectivity
-----------------------------------------
1/38=1,57=2/1;
2/17=6,18=5,40=1/2;
3/5=7,11=2,16=1,25=1,30=1,74=-5/1,2,3;
4//1;
5/5=2,32=1,38=5/2;
6/7=2,8=2,9=2,10=2,28=1/1;
99/5=1,9=1/99;
Leave Link 1 at Fri Nov 10 02:24:52 2006, MaxMem= 160563200 cpu: 2.0
(Enter c:\archivos de programa\G03\l101.exe)
-----------------------------------
Mo2TFa4--Mo2Tfa4 DFT/Lanl2DZ+6-31**
-----------------------------------
Symbolic Z-matrix:
Charge = 0 Multiplicity = 1
molecule specification
WANTED AN INTEGER AS INPUT.
FOUND A STRING AS INPUT.
C H O F 0
======================================================================
=======
Please, if any person could help me, i would be very thankful
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