D₂対称性に属する分子


座標

molecule = {
{H, 0.937050589, 0.000000000, -1.225847145},
{C, 0.000000000, 0.000000000, -0.668700979},
{C, 0.000000000, 0.000000000, 0.668700979},
{H, -0.937050589, 0.000000000, -1.225847145},
{H, 0.811509615, 0.468525294, 1.225847145},
{H, -0.811509615, -0.468525294, 1.225847145}
};


指標表

D2	E	C2(z)	C2(y)	C2(x)
A1	1	1	1	1		x2,y2,z2
B1	1	1	-1	-1	z,Rz	xy
B2	1	-1	1	-1	y,Ry	xz
B3	1	-1	-1	1	x,Rx	yz

直積表

D2	A1	B1	B2	B3
A1	A1
B1	B1	A1
B2	B2	B3	A1
B3	B3	B2	B1	A1