CCL:G: NBO error
- From: "Ricky Shen" <hxhgxy2===163.com>
- Subject: CCL:G: NBO error
Sent to CCL by: "Ricky Shen" [hxhgxy2_+_163.com]
Hi
I'm a new subscriber of CCL. Im so sorry if the problem are repeated to
previous. I searched the CCL but cant find the answer.
A NBO calculation gives the error message: "NBO cannot handle linearly
dependant basis sets" and does not give the result of NBO calcultions
Gaussian version: G98 a11
Input file:
p b3lyp 6-311++g** nmr iop(10/46=1) pop=nboread
No title specified
0 1
16 0.000000 0.000000 -3.515383
7 0.000000 1.258723 -2.490845
.........
nbo nlmo bndidx ncs end
How to resolve this problem? Thank You very much
Richy Shen
E-mail:hxhgxy2-.-163.com