Subject: ccl: 6-31G** basis-set in G98 for Ge

From: "Martijn Zwijnenburg" <M.A.Zwijnenburg*at*tnw.tudelft.nl>
Date: Wed, 02 Jul 2003 18:40:24 +0200

Hi,

I'm wondering were the 6-31G** basis-set for Ge in G98 originates 
from? Since I can only find 6-31G** basis-sets upto Zn at for 
instance the EMSL Basis Set Library site. Furthermore, it doesn't 
really strike me as 6-31G** (more functions, no f functions for 
polarization, see below). Anybody a guess?

Thanx in advance,

Martijn Zwijnenburg

****
 18 0
 S    8 1.00
  0.4890000000D+06  0.2220000000D-03
  0.7310000000D+05  0.1728000000D-02
  0.1664000000D+05  0.8950000000D-02
  0.4742000000D+04  0.3590500000D-01
  0.1569000000D+04  0.1128400000D+00
  0.5770000000D+03  0.2874800000D+00
  0.2290000000D+03  0.4344900000D+00
  0.9481000000D+02  0.3068300000D+00
 S    2 1.00
  0.2922000000D+02  0.4775900000D+00
  0.1245000000D+02  0.1114450000D+01
 S    1 1.00
  0.3642000000D+01  0.1000000000D+01
 S    1 1.00
  0.1502000000D+01  0.1000000000D+01
 S    1 1.00
  0.2462000000D+00  0.1000000000D+01
 S    1 1.00
  0.9209000000D-01  0.1000000000D+01
 P    6 1.00
  0.3596000000D+04  0.1442000000D-02
  0.8437000000D+03  0.1244200000D-01
  0.2662000000D+03  0.6469400000D-01
  0.9828000000D+02  0.2186650000D+00
  0.3993000000D+02  0.3933500000D+00
  0.1714000000D+02  0.4345300000D+00
 P    3 1.00
  0.7157000000D+01  0.2499750000D+00
  0.3068000000D+01  0.4693800000D+00
  0.1246000000D+01  0.2889600000D+00
 P    1 1.00
  0.2795000000D+00  0.1000000000D+01
 P    1 1.00
  0.8340000000D-01  0.1000000000D+01
 D    5 1.00
  0.7018000000D+02  0.2877000000D-01
  0.2007000000D+02  0.1552500000D+00
  0.7059000000D+01  0.3681400000D+00
  0.2553000000D+01  0.4657800000D+00
  0.8301000000D+00  0.2864800000D+00
 D    1 1.00
  0.2020000000D+00  0.1000000000D+01
 ****

----------------------------------------------------------------------
---
Martijn Zwijnenburg
Lab. of Applied Organic Chemistry and Catalysis
Delft University of Technology
Julianalaan 136
2628 BL Delft
The Netherlands
Tel: 0031-(0)152782691
Fax: 0031-(0)152784700
e-mail: M.A.Zwijnenburg*at*tnw.tudelft.nl
web page: http://come.to/tock