C2v対称性に属する分子
座標
molecule = {
{H, -4.639318943, 0.014038824 , 0.288722923},
{C, -3.543394089, 0.011295000 , 0.301259011},
{H, -3.347333908, 0.011810040, -1.844280601},
{C, -2.828247070 , 0.009861000, -0.879002988},
{C, -1.481335044, 0.004380000 , 1.565269947},
{C, -1.415042043, 0.005432000, -0.863538027},
{C, -2.862219095, 0.008716000, 1.531116962},
{C, -0.723025978, 0.002451000 , 0.371578008},
{C, -0.678516984 , 0.002723000, -2.095278025},
{H, -3.436374009, 0.009771062 , 2.464691222},
{H, 0.973418295, -0.002019219, 2.536470711},
{H, -0.973418295, 0.002019219 , 2.536470711},
{C, 0.678516984, -0.002722000, -2.095278025},
{H, -1.246268511 , 0.005202012, -3.032757640},
{H, 1.246268511, -0.005202007, -3.032757640},
{C, 1.415042043, -0.005432000, -0.863538027},
{C, 2.828247070, -0.009861000, -0.879002988},
{C, 0.723025978, -0.002451000 , 0.371578008},
{C, 3.543394089, -0.011295000 , 0.301259011},
{H, 3.347333908, -0.011810040, -1.844280601},
{H, 4.639318943, -0.014038824, 0.288722923},
{C, 2.862219095, -0.008716000 , 1.531116962},
{H, 3.436374009, -0.009771062, 2.464691222},
{C, 1.481335044, -0.004380000 , 1.565269947}
};
指標表
C2v |
E |
C2 |
s v |
s v' |
|
|
A1 |
1 |
1 |
1 |
1 |
z |
x2,y2,z2 |
A2 |
1 |
1 |
-1 |
-1 |
Rz |
xy |
B1 |
1 |
-1 |
1 |
-1 |
x,Ry |
xz |
B2 |
1 |
-1 |
-1 |
1 |
y,Rx |
yz |
直積表
C2v |
A1 |
A2 |
B1 |
B2 |
A1 |
A1 |
|
|
|
A2 |
A2 |
A1 |
|
|
B1 |
B1 |
B2 |
A1 |
|
B2 |
B2 |
B1 |
A2 |
A1 |