D_3d対称性に属する分子


座標

molecule = {
{C, 0.000000000, 0.000000000, -0.774252656},
{C, 0.000000000, 0.000000000 , 0.774252656},
{H, -0.003737136, -1.033771834 , 1.154357515},
{H, -0.893404102, 0.520122371, 1.154357515},
{H, 0.897141237, 0.513649462, 1.154357515},
{H, -0.895278520, -0.516889294, -1.154357515},
{H, 0.895278520, -0.516889294, -1.154357515},
{H, 0.000000000, 1.033778589, -1.154357515}
};


指標表

D3d	E	2C3	3C2	i	2S6	3sd
A1g	1	1	1	1	1	1		x2+y2,z2
A1u	1	1	1	-1	-1	-1
A2g	1	1	-1	1	1	-1	Rz
A2u	1	1	-1	-1	-1	1	z
Eg	2	-1	0	2	-1	0	(Rx,Ry)	(x2-y2,xy) (xz,yz)
Eu	2	-1	0	-2	1	0	(x,y)

直積表

D3d	A1g	A1u	A2g	A2u	Eg	Eu
A1g	A1g
A1u	A1u	A1g
A2g	A2g	A2u	A1g
A2u	A2u	A2g	A1u	A1g
Eg	Eg	Eu	Eg	Eu	(A1g+A2g+Eg)
Eu	Eu	Eg	Eu	Eg	(A1u+A2u+Eu)	(A1g+A2g+Eg)