centos 6.5 安装gaussion

1.解压gview 安装包

tar zxvf g09.tgz

2.配置环境

vim .bashrc

source .bashrc

3.修改权限

chmod -R 770 /home/zengxin/g09
cd g09
mkdir scratch
chmod -R 777 scratch

4. 试运行

# mkdir g09/work

制作一个计算文档：water.txt

%chk=/home/zengxin/g09/water.chk
%mem=30MW
%nproc=2
# opt b3lyp/6-31g

Title Card Required

0 1
 O                 -2.37875293   -2.04387988    0.00000000
 H                 -1.41875293   -2.04387988    0.00000000
 H                 -2.69920751   -1.13894405    0.00000000

参考自http://muzirui.blog.163.com/blog/static/1286170032013215102316635/，感谢博主。