C_3h対称性に属する分子


座標

molecule = {
{O, 0.020382174, 0.000000000, -1.343473315},
{B, 0.000000000 , 0.000000000 , 0.000000000},
{O, -1.173673107, 0.000000000 , 0.654085177},
{O, 1.153290933, 0.000000000, 0.689388138},
{H, 0.921134879, 0.000000000, -1.645099684},
{H, 0.964130679, 0.000000000, 1.620276047},
{H, -1.885265557, 0.000000000 , 0.024823637}
};


指標表

C3h	E	C3	C32	sh	S3	S35
A'	1	1	1	1	1	1	Rz	x2+y2,z2
A"	1	1	1	-1	-1	-1	z
E'(1)	1	w	w*	1	w	w*	(x,y)	(x2-y2,xy)
E'(2)	1	w*	w	1	w*	w	(x,y)	(x2-y2,xy)
E"(1)	1	w	w*	-1	-w	-w*	(Rx,Ry)	(xz,yz)
E"(2)	1	w*	w	-1	-w*	-w	(Rx,Ry)	(xz,yz)
w=exp(2pi/3)

直積表

C3h	A'	A"	E'(1)	E'(2)	E"(1)	E"(2)
A'	A'
A"	A"	A'
E'(1)	E'(1)	E"(1)	E'(2)
E'(2)	E'(2)	E"(2)	A'	E'(1)
E"(1)	E"(1)	E'(1)	E"(2)	A"	E'(2)
E"(2)	E"(2)	E'(2)	A"	E"(1)	A'	E'(1)