D_2d対称性に属する分子


座標

molecule = {
{H, -0.667429049, -0.666621947, -1.875749828},
{C, 0.000000000, 0.000000000, -1.331785665},
{C, 0.000000000 , 0.000000000, 0.000000000},
{H, 0.667429049, 0.666621947, -1.875749828},
{C, 0.000000000, 0.000000000 , 1.331785665},
{H, 0.667025620, -0.667025620, 1.875749828},
{H, -0.667025620 , 0.667025620, 1.875749828}
};


指標表

D2d	E	2S4	C2	2C2'	2sd
A1	1	1	1	1	1		x2+y2,z2
A2	1	1	1	-1	-1	Rz
B1	1	-1	1	1	-1		x2-y2
B2	1	-1	1	-1	1	z	xy
E	2	0	-2	0	0	(x,y) (Rx,Ry)	(xz,yz)

直積表

D2d	A1	A2	B1	B2	E
A1	A1
A2	A2	A1
B1	B1	B2	A1
B2	B2	B1	A2	A1
E	E	E	E	E	(A1+A2+B1+B2)