(fwd) [molpro-user] problem with MOLPRO

[H. -J. Werner]

Your first threee atoms (Q1,F1,F2) are collinear, and therefore the 
position of the last atom cannot be determined using the
dihedral angle (this requires (Q1,F1,F2) to define a plane).
Joachim Werner
----- Forwarded message from Ashwani Kumar Tiwari <ashwanit at iitk.ac.in> -----

From: "Ashwani Kumar Tiwari" <ashwanit at iitk.ac.in>
To: molpro-user at molpro.net
Subject: [molpro-user] problem with MOLPRO
Date: Wed, 1 Mar 2006 16:33:03 +0530 (IST)
Message-ID: <39839.172.28.56.27.1141210983.squirrel at webmail.iitk.ac.in>
User-Agent: SquirrelMail/1.4.5-1

Dear All:
I am trying to generate few ab initio points for He-F2 surface.
Following is the input file I am using:

 ***,he-f2
memory,50,m
geometry={angstrom; x;
q1;
f1,q1,r1;
f2,q1,r2,f1,180.0;
He,q1,5.0,f1,30.0,f2,180.0
}
f1f2=1.4
r1=f1f2/2
r2=f1f2/2
HF
---

and it shows the error

ERROR EXIT

 RECURSIVE CALL OF ERROR HANDLER, FILE INFORMATION MAY BE LOST

 EMERGENCY STOP

could anyone please suggest me what should I do?

thanking you in anticipation

yours sincerely
Ashwani



**************************************
Ashwani Kumar Tiwari, Research Scholar
C/o Prof. N. Sathyamurthy
Department of Chemistry
Indian Institute of Technology Kanpur
Kanpur-208016, India
*************************************

----- End forwarded message -----

-- 
Prof. Hans-Joachim Werner
Institute for Theoretical Chemistry
University of Stuttgart
Pfaffenwaldring 55
D-70569 Stuttgart, Germany
Tel.: (0049) 711 / 685 4400
Fax.: (0049) 711 / 685 4442
e-mail: werner at theochem.uni-stuttgart.de