D_4h対称性に属する分子


座標

molecule = {
{Cl, 0.000000000, 0.000000000, -1.400000000},
{Pt, 0.000000000, 0.000000000, 1.000000000},
{Cl, 0.000000000, 0.000000000 , 3.400000000},
{Cl, -2.400000000 , 0.000000000 , 1.000000000},
{Cl, 2.400000000, 0.000000000, 1.000000000}
};


指標表

D4h	E	2C4	C42	2C2'	2C2"	i	2S4	sh	2sv	2sd
A1g	1	1	1	1	1	1	1	1	1	1		x2,y2,z2
A1u	1	1	1	1	1	-1	-1	-1	-1	-1
A2g	1	1	1	-1	-1	1	1	1	-1	-1	Rz	xy
A2u	1	1	1	-1	-1	-1	-1	-1	1	1	z
B1g	1	-1	1	1	-1	1	-1	1	1	-1	Ry	xz
B1u	1	-1	1	1	-1	-1	1	-1	-1	1	y
B2g	1	-1	1	-1	1	1	-1	1	-1	1	Rx	yz
B2u	1	-1	1	-1	1	-1	1	-1	1	-1	x
Eg	2	0	-2	0	0	2	0	-2	0	0
Eu	2	0	-2	0	0	-2	0	2	0	0

直積表

D4h	A1g	A1u	A2g	A2u	B1g	B1u	B2g	B2u	Eg	Eu
A1g	A1g
A1u	A1u	A1g
A2g	A2g	A2u	A1g
A2u	A2u	A2g	A1u	A1g
B1g	B1g	B1u	B2g	B2u	A1g
B1u	B1u	B1g	B2u	B2g	A1u	A1g
B2g	B2g	B2u	B1g	B1u	A2g	A2u	A1g
B2u	B2u	B2g	B1u	B1g	A2u	A2g	A1u	A1g
Eg	Eg	Eu	Eg	Eu	Eg	A1g	Eg	Eu	(A1g+A2g+B1g+B2g)
Eu	Eu	Eg	Eu	Eg	Eu	Eg	Eu	Eg	(A1u+A2u+B1u+B2u)	(A1g+A2g+B1g+B2g)