Subject: input for QST2

From: Vladimir Basiuk <[email-masked]>
Date: Fri, 19 Nov 1999 09:53:48 -0600 (CST)

Dear CCL members,

Sorry for a possibly stupid question, but I am new in Gaussian.
I would like to find a transition state using QST2. Can I use Cartesian
co-ordinates in a Gaussian job file? Say, would it be sufficient to
specify 

---------------------
%Chk=test

# HF/STO-3G Opt=QST2 Freq

No title specified

   0   1

N(1)    1.443   -0.510  0.000
C(2)    2.290   0.453   0.000
H(3)    1.923   -1.416  0.000
H(4)    1.916   1.475   0.000
H(5)    3.376   0.328   0.000
C(6)    -1.715  -0.057  0.000
N(7)    -2.874  0.151   0.000
H(8)    -0.648  -0.245  0.000          

HN=CH2 + HCN --> NH2CH2CN

0,1
N(1)    -1.294  -0.538  0.697
C(2)    -0.501  0.599   0.227
C(6)    0.719   0.118   -0.439
N(7)    1.716   -0.258  -0.947
H(3)    -2.172  -0.194  1.082
H(8)    -0.804  -1.009  1.454
H(4)    -1.092  1.152   -0.510
H(5)    -0.197  1.318   1.003
----------------- 

Or do I need something else there? Or is it impossible at all?
Thank you very much.

Please reply directly to my address.

***********************************************
                                              
Dr. Vladimir Basiuk
Instituto de Ciencias Nucleares
Universidad Nacional Autonoma de Mexico
Circuito Exterior C.U.
A. Postal 70-543
04510 Mexico, D.F., MEXICO

Tel: 	(52) 56 16 27 97
     	(52) 56 22 46 74
Fax: 	(52) 56 16 22 33
email: 	[email-masked]

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