Subject: CCL:G98 unrecogized IType in G98

From: "Remenyi, Rainer" <[email-masked]>
Date: Wed, 29 May 2002 14:42:57 +0200

Dear CCLers, 
I am running a transition state search with G98 with the following input:

-------------------------------------------------------------
% chk=TransState
#P B3Lyp/6-31G(d) guess=read iop(6/7=3) scf=(maxcycle=200)
opt=QST2

Übergangszustand Edukt
-1 1
cu
n   1 ncu2
c   2 cn3        1 cncu3          

.
.
.
.
Übergangszustand Produkt

-1 1
cu
n   1 ncu2
c   2 cn3        1 cncu3
.
.
.
.
---------------------------------------------------------------------------
The job is running, but in the output there is the following message: 

----------------------------------------------------------------------------
-----------
                         ----------------------------
                         !    Initial Parameters    !
                         ! (Angstroms and Degrees)  !
 ------------------------
-------------------------
 ! Name  Definition        TS        Reactant  Product Derivative Info.
!
 
----------------------------------------------------------------------------
-
 ! R1    R(1,2)             1.7853    1.8387    1.8146 estimate D2E/DX2
!
 ! R2    R(1,5)             1.9264    1.8775    2.0039 estimate D2E/DX2
!
.
.
 ! D60   D(20,18,19,25)     4.2125    0.8488   19.9158 Unrecognized IType in
!
.
.
--------------------------------------------------------------------

Does anybody know what unrecognized IType means in this case. 

Thanks, Rainer

Rainer Remenyi
Anorganisch-Chemisches Institut
Im Neuenheimer Feld 270
69120 Heidelberg
Germany

phone           ++ 49 6221 54 8653
fax                ++ 49 6221 54 6617

e-mail: [email-masked]