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

4. 试运行

g09 18_1.com

 18_1.com

%chk=18_1.chk
# nmr=giao hf/3-21g geom=connectivity

NONAME

0 1
 C                 -0.97000000    1.06500000   -5.23600000
 H                 -1.15500000    0.77700000   -6.27800000
 C                 -0.73600000   -0.22000000   -4.42700000
 H                 -1.61100000   -0.86800000   -4.56400000
 C                 -2.13500000    1.92800000   -4.73800000
 H                 -2.73000000    1.45100000   -3.95300000
 H                 -2.82000000    2.09300000   -5.58100000
 C                 -1.50300000    3.25000000   -4.35100000
 Br                -1.18300000    3.29700000   -2.42800000
 H                 -2.15100000    4.10800000   -4.55200000
 C                 -0.23600000    3.26500000   -5.18600000
 C                  0.90500000    4.16200000   -4.74200000
 H                  0.57200000    5.19500000   -4.60500000
 H                  1.69800000    4.15400000   -5.49900000
 H                  1.37400000    3.80500000   -3.82000000
 H                 -0.50300000    3.54900000   -6.21300000
 O                  0.20100000    1.90100000   -5.24600000
 C                  0.52800000   -0.99900000   -4.80600000
 H                  1.03800000   -0.60100000   -5.69000000
 H                  0.23200000   -2.02400000   -5.06200000
 C                  1.36200000   -1.02700000   -3.54200000
 Br                 2.71000000    0.38300000   -3.60800000
 H                  1.92900000   -1.95400000   -3.42400000
 C                  0.80800000   -0.30800000   -1.09700000
 H                  1.70300000   -0.85800000   -0.78900000
 C                  0.32200000   -0.83400000   -2.45000000
 O                 -0.65200000    0.05600000   -3.01800000
 H                 -0.18900000   -1.79500000   -2.29600000
 H                  1.07700000    0.75200000   -1.16800000
 C                 -0.27600000   -0.40500000   -0.05200000
 H                 -1.14600000    0.22500000   -0.23300000
 C                 -0.27200000   -1.16400000    1.05400000
 H                 -1.12600000   -1.12700000    1.72300000
 C                  0.79400000   -2.03300000    1.40900000
 C                  1.69300000   -2.76800000    1.71300000
 H                  2.49400000   -3.41600000    1.97900000

 1 2 1.0 3 1.0 5 1.0 17 1.0
 2
 3 4 1.0 18 1.0 27 1.0
 4
 5 6 1.0 7 1.0 8 1.0
 6
 7
 8 9 1.0 10 1.0 11 1.0
 9
 10
 11 12 1.0 16 1.0 17 1.0
 12 13 1.0 14 1.0 15 1.0
 13
 14
 15
 16
 17
 18 19 1.0 20 1.0 21 1.0
 19
 20
 21 22 1.0 23 1.0 26 1.0
 22
 23
 24 25 1.0 26 1.0 29 1.0 30 1.0
 25
 26 27 1.0 28 1.0
 27
 28
 29
 30 31 1.0 32 2.0
 31
 32 33 1.0 34 1.0
 33
 34 35 3.0
 35 36 1.0
 36

运行结果

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

posted @ 2014-08-25 22:06  Thomas955  阅读(423)  评论(0)    收藏  举报