Subject: postassium, g94

From: Marek Strajbl <[email-masked]>
Date: Thu, 1 Feb 96 11:40:54 -0800

Dears
I am trying to do some calculation on potassium compound. I am doing it
at HF/6-31G* level and I augmented the 6-31G* basis with Wachter's
basis set for K plus one polarization function (read in by keyword
EXTRABASIS). I got following error message:

 Unable to normalize a contracted basis function.
 Error termination via Lnk1e in /usr/packages/g94/l301.exe.

Can anyone give some explanation and hints how to fix this.

Best regards
	Marek

--------------------------
Marek Strajbl
Institute of Physics of Charles University, Prague, CZ
e-mail: <[email-masked]>
--------------------------

Wachter's basis set for K:
 Centers:  17
 S      6       1.00
     Exponent=  150591.000000000 Coefficients=    3.217052000
     Exponent=   22629.600000000 Coefficients=    5.972733000
     Exponent=    5223.160000000 Coefficients=   10.093725000
     Exponent=    1498.060000000 Coefficients=   15.757455000
     Exponent=     495.165000000 Coefficients=   21.631892000
     Exponent=     180.792000000 Coefficients=   23.838786000
 S      2       1.00
     Exponent=      71.194000000 Coefficients=   11.508461000
     Exponent=      29.372300000 Coefficients=    3.356739000
 S      1       1.00
     Exponent=       8.688630000 Coefficients=    3.606813000
 S      1       1.00
     Exponent=       3.463820000 Coefficients=    1.809575000
 S      1       1.00
     Exponent=       0.811307000 Coefficients=    0.609255000
 S      1       1.00
     Exponent=       0.312555000 Coefficients=    0.297924000
 S      1       1.00
     Exponent=       0.035668000 Coefficients=    0.058495000
 S      1       1.00
     Exponent=       0.016517000 Coefficients=    0.032837000
 P      3       1.00
     Exponent=     867.259000000 Coefficients=  155.307648000
     Exponent=     205.254000000 Coefficients=  205.974450000
     Exponent=      65.821400000 Coefficients=  229.175803000
 P      3       1.00
     Exponent=      24.574200000 Coefficients=   21.185062000
     Exponent=       9.877040000 Coefficients=   11.634505000
     Exponent=       4.116930000 Coefficients=    3.184294000
 P      1       1.00
     Exponent=       1.556530000 Coefficients=    2.478203000
 P      2       1.00
     Exponent=       0.614068000 Coefficients=    0.523446000
     Exponent=       0.228735000 Coefficients=    0.087744000
(added polarization function:)
 D      1       1.00        
     Exponent=       0.100000000 Coefficients=    0.029269000
 ****