CCL: W:Could you help me to find the reason why my program does not
work?
- From: "XunLei Ding" <dxl*_*ustc.edu.cn>
- Subject: CCL: W:Could you help me to find the reason why my program
does not work?
- Date: Sat, 03 Sep 2005 19:27:10 +0800
Sent to CCL by: "XunLei Ding" [dxl*_*ustc.edu.cn]
You may try this:
#OPT MP3/GENecp
....
C H O 0
6-31G**
****
Rh 0
LANL2DZ
****
Rh 0
LANL2DZ
In your mail:
>From: "CCL" <owner-chemistry*_*ccl.net>
>Reply-To: "CCL Subscribers" <chemistry*_*ccl.net>
>To: "Xunlei, Ding " <dxl*_*ustc.edu.cn>
>Subject: CCL: W:Could you help me to find the reason why my program does not
work?
>Date:Sat, 3 Sep 2005 04:37:25 -0400
>
>
> Sent to CCL by: "Hua Ma" [g0403132(-)nus.edu.sg]
> %chk=Rh-group.chk
> %mem=60MW
>
> OPT MP3/GEN
>
> Rh-group
>
> .....(molecular description)
>
> C H O 0
> 6-31G**
> ****
> Rh 0
> LANL2DZ
> ****
>
> The program does not work successfully, but I do not know the reason.
>
> Best Regards,
> Ma Hua>
>
>
>