Ci対称性に属する分子
座標
molecule = {
{C, 0.000000000, 0.000000000, -0.440999985},
{C, 0.000000000 , 0.000000000, 1.090000033},
{Cl, 0.835328648, 1.446831659, 1.680667489},
{H, 0.516659186, -0.894880390 , 1.455333114},
{F, -1.303905025, -0.000000271, 1.550999741},
{F, 1.303904698, 0.000000000, -0.902000617},
{H, -0.516659558, 0.894880176, -0.806333065},
{Cl, -0.835329157, -1.446831848, -1.031666255}
};
指標表
Ci |
E |
i |
|
|
Ag |
1 |
1 |
Rx,Ry,Rz |
x2,y2,z2 |
Au |
1 |
-1 |
x,y,z |
xy,yz,xz |
直積表