Subject: Basis set problem

From: Iris Chan <[email-masked]>
Date: Thu, 15 Jun 2000 11:07:16 -0700 (PDT)

Dear Netters,

	When I try to use two different basis sets to carry out the 
optimization of LaCl3, the job is dead immediately.  Would someone tell 
me what the errors come from?  And how can I solve them?
	Thanks a lot.

Regards,

Iris Chan
Chemisrty Department
The Chinese University of Hong Kong

Belows is the error message:
----------------------------------------------------------------------
      Standard orientation:
 ---------------------------------------------------------------------
 Center     Atomic     Atomic              Coordinates (Angstroms)
 Number     Number      Type              X           Y           Z
    1         57             0        0.000000    0.000000    0.000000
    2         17             0        0.000000    2.500000    0.000000
    3         17             0        2.165064   -1.250000    0.000000
    4         17             0       -2.165064   -1.250000    0.000000
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      1.5415748      1.5415748      0.7707874
 Isotopes: La-139,Cl-35,Cl-35,Cl-35
 Leave Link  202 at Tue Jun 13 16:56:28 2000, MaxMem=   13107200 cpu:      0.2
 (Enter /usr/local/g98a7/g98/l301.exe)
 Standard basis: CBSB4 (6D, 7F)
 Atomic number out of range for 6-31G basis set.    
 Error termination via Lnk1e in /usr/local/g98a7/g98/l301.exe.
 Job cpu time:  0 days  0 hours  0 minutes  1.7 seconds.
 File lengths (MBytes):  RWF=   11 Int=    0 D2E=    0 Chk=   15 Scr=    1
sh: 2045 Memory fault: A memory image file is created as "core".    
-----------------------------------------------------------------------------
Here is my input:
-----------------------------------------------------------------------------
%int=LaCl-4
%rwf=LaCl-4
%d2e=LaCl-4
%scr=LaCl-4
%nosave
%chk=LaCl-4
%mem=100Mb
#P ub3lyp/LanL2DZ opt gen

Geometry of LaCl3

0 1
La
Cl 1 r
Cl 1 r 2 a
Cl 1 r 2 a 3 d

r=2.5
a=120.
d=180.   

1 0
****
Cl 0
6-311+G(d)
****