Subject: W:isotope calculations

From: "kono, , lemke" <klemke04 !! yahoo.com>
Date: Tue, 14 Jun 2005 19:12:32 -0400

i am running cbs-4 calculations on small deuterated organics and 
can not get gaussian to rerun for heavier isotopes. does gaussian
require a blank line at the input end? any suggestion
as how to edit the input below would be appreciated. thanks
kono

%chk=formaldehyde
 cbs-4m

formaldehyde

0 1
 c
 o   1 oc2     
 h   1 hc3        2 hco3      
 h   1 hc4        2 hco4         3 dih4   
 
oc2         1.450000
hc3         1.089000
hco3        109.471
hc4         1.089000
hco4        109.471
dih4        120.000

--link1--
%chk=formaldehyde
 cbs-4m

0 1

298.16 0.0 0.0
12
16
2
2