Subject: Numbers of Basis Function per Atom.

From: "Iraj Daizadeh" <[email-masked]>
Date: Wed, 28 Jan 1998 13:39:44 -0800

Hello.

Would anyone be so kind to inform me as to the array in the Gaussian source
code whose elements are the mappings between basis functions and atom numbers.

For example,

in LiHLi

   1 1   Li 1S
   2        2S
   3        2PX
   4        2PY
   5        2PZ
   6 2   H  1S
   7 3   Li 1S
   8        2S
   9        2PX
  10        2PY
  11        2PZ

I can imagine the array in this example would contain:

	{1,6,7}

where these indices correspond to the first prim. basis function on the
new atom.  If there is another method from lets say a .fchk file, please let me
know as well.  The method I have come up with is very inefficient.

Thank you in advance.

Iraj.

-- 
Iraj Daizadeh
Department of Chemistry
University of California
One Shields Ave.
Davis, CA  95616-5295
Phone:  530.754.8695
Fax:    530.752.8995
email:  [email-masked]