Subject: Re: CCL:G functions in G94

From: [email-masked] (Nico van Eikema Hommes)
Date: Wed, 31 May 1995 11:41:31 +0200

Hi John

>Has anyone been able to input a generally contracted basis set
>with g functions into G94? My attempts are unsuccessful. We are
>currently without manuals, but advertisements say functions
>of arbitrary angular momentum can be used.

The following input is read in correctly. The output generated by
gfprint is incorrect: higher momentum functions are printed as if
they were s functions. However, gfinput prints it correctly and
the number of basis functions is what it should be.

# HF/6-311G** EXTRABASIS GFINPUT GFPRINT TEST

H

0,2
H

-H
d  1  1.0
1.00  1.0
f  1  1.0
0.99  1.0
g  1  1.0
0.98  1.0
h  1  1.0
0.97  1.0
****

Hope this helps.

Best wishes,

       Nico van Eikema Hommes

--
  Dr. N.J.R. van Eikema Hommes     Computer-Chemie-Centrum
  [email-masked]       Universitaet Erlangen-Nuernberg
  Phone:    +49-(0)9131-856532     Naegelsbachstr. 25
  FAX:      +49-(0)9131-856566     D-91052 Erlangen, Germany