From owner-chemistry@ccl.net Tue Mar 14 14:54:01 2017
From: "Nicolas Domancich syn811**hotmail.com" <owner-chemistry]*[server.ccl.net>
To: CCL
Subject: CCL:G: Error with LanL2DZ basis set in Gaussian 09
Message-Id: <-52691-170314135817-2139-UtlwY9E0v0thflnPYwwHgA]*[server.ccl.net>
X-Original-From: "Nicolas  Domancich" <syn811**hotmail.com>
Date: Tue, 14 Mar 2017 13:58:16 -0400


Sent to CCL by: "Nicolas  Domancich" [syn811||hotmail.com]
Hello everyone.

I'm having the following issue with HI:


 There are     7 symmetry adapted basis functions of A1  symmetry.
 There are     0 symmetry adapted basis functions of A2  symmetry.
 There are     3 symmetry adapted basis functions of B1  symmetry.
 There are     3 symmetry adapted basis functions of B2  symmetry.
 Integral buffers will be    262144 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 There are  27 occupied orbitals but only  13 basis functions!
 Error termination via Lnk1e in C:\G03W\l301.exe at Mon Mar 13 16:53:24 
2017.


Here is the input file that Im using:


%nproc=4
%chk=HI
%mem=1400MB
# B3LYP/gen opt=z-matrix SCF(conver=8) gfinput

H I
 
0 1
 H 0 x1 y1 z1
 I 0 x2 y2 z2 
Variables:
x1 0.0
y1 0.0
z1 0.0
x2 0.0
y2 0.0
z2 1.6

H 0
6-31G**
****
I 0
lanl2dz
****


What do you think is happening? Thanks for the help.
Nicolas