[molpro-user] Atomic masses used by molpro

Raffaele BORRELLI rborrelli at unisa.it
Wed Jun 20 09:07:09 BST 2012


 

Dear Users, 

I was using the command mass to retrieve the masses
used by molpro. However I don't understand the results.
The mass of
carbon atoms seems to be 12.01100, while it should be exactly 12.00000,
(the former seems to be the average atomic mass of the mixture of the
two isotopes according to their natural abundance). What am I missing?
What are the default masses actually used by molpro? 

Thanks
Lello 
 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20120620/751d1373/attachment.html>


More information about the Molpro-user mailing list