CCL:G: gaussian troubleshooting

[Cina Foroutan-Nejad <canyslopus{:}yahoo.co.uk>]

Dear Herbson,

Your input file is really messy (not related to Argentinian Footballer Messi ;-)). Your input must looks like this:

%chk=a name

%mem=something, e.g. 20GB --> Gigabytes or 20000 MB--> Megabytes

%nprocshared=(number of CPUs you want to use)

# (your commands)

(a blank line)

-your title section in which you can write whatever you like!

(again a blank line)

charge and multiplicity for example 1 1 (This means your molecule has a positive charge and is Singlet but you can change these numbers based on your system

then molecular specification which is Z-matrix or Cartesian coordinate of your system then your basis sets. 

You can cast a look on the examples which are provided by Gaussian in its webpage and solve your problem.

Have fun,

Cina

=======================================================================================

Cina Foroutan-Nejad

http://muni.academia.edu/CinaForoutanNejad

---

From: Herbson Esp ndola Ribeiro he.ribeiro{}bol.com.br <owner-chemistry]|[ccl.net>
To: "Foroutan-Nejad, Cina " <canyslopus]|[yahoo.co.uk>
Sent: Tuesday, 6 August 2013, 17:34
Subject: CCL:G: gaussian troubleshooting

Sent to CCL by: "Herbson Esp  ndola Ribeiro" [he.ribeiro(a)bol.com.br]
Hello to all people of good will.

Firstly apologise by my english, because i am brazilian. I'm trying run a
job on gaussian G09W with a platinnum complex and i'm getting the following
menssage:

Symbolic Z-matrix:
Charge and multiplicity card seems defective:
Charge is bogus.
  WANTED AN INTEGER AS INPUT.
  FOUND A STRING AS INPUT.
opt           

 
My input file goes as follows:

%chk=grafeno.chk

#p opt rb3lyp/gen scf(qc,direct) pseudo=read  test  geom=connectivity

Pt 0
lanl2dz

opt

0 1

Z-matrix


Pt 0
lanl2dz
****
C N H 0
6-311++g(2d,2p)
****

Any hint what I may be doing wrong?

Thanks in advance,

Herbson.



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