C_2h対称性に属する分子


座標

molecule = {
{H, -1.520551650, 0.000000000, -0.260687421},
{C, -0.455226411 , 0.000000000, -0.489468082},
{C , 0.455226411 , 0.000000000 , 0.489468082},
{Cl , 0.047043578 , 0.000000000, -2.167328977},
{Cl, -0.047043578 , 0.000000000, 2.167328977},
{H, 1.520551650 , 0.000000000, 0.260687421}
};


指標表

C2h	E	C2	i	sh
A1	1	1	1	1	Rz	x2,y2,z2,xy
A2	1	-1	1	-1	Rx,Ry	xz,yz
B1	1	1	-1	-1	z
B2	1	-1	-1	1	x,y

直積表

C2h	Ag	Au	Bg	Bu
Ag	Ag
Au	Au	Ag
Bg	Bg	Bu	Ag
Bu	Bu	Bg	Au	Ag