ccl: 6-31G** basis-set in G98 for Ge
- From: "Martijn Zwijnenburg"
<M.A.Zwijnenburg*at*tnw.tudelft.nl>
- Organization: Delft University of Technology (TNW-DCT)
- Subject: ccl: 6-31G** basis-set in G98 for Ge
- 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
****
----------------------------------------------------------------------
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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