I_h対称性に属する分子


座標

molecule = {
{C, -2.31995, -1.17227, 2.40941},
{C, -2.16591, -2.30246, 1.60285},
{C, -1.22486, -0.72450, 3.24599},
{C, -0.01502, -1.42300, 3.24600},
{C, -1.22486, 0.72450, 3.24599},
{C, -0.01502, 1.42300, 3.24600},
{C, -2.31995, 1.17227, 2.40941},
{C, -2.16591, 2.30246, 1.60285},
{C, -2.99676, 0.00000, 1.89237},
{C, -3.49524, 0.00000, 0.58733},
{C, -0.91104, -3.02696, 1.60285},
{C, 0.14476, -2.59527, 2.40942},
{C, -2.68294, -2.30246, 0.24923},
{C, -3.33546, -1.17227, -0.24925},
{C, -0.65252, -3.47473, 0.24924},
{C, 0.65252, -3.47473, -0.24924},
{C, -1.74762, -3.02696, -0.58734},
{C, -1.49837, -2.59527, -1.89238},
{C, 1.23985, -0.69850, 3.24600},
{C, 1.23985, 0.69850, 3.24600},
{C, 2.17518, -1.42300, 2.40942},
{C, 3.07694, -0.72450, 1.60286},
{C, 1.49837, -2.59527, 1.89238},
{C, 1.74762, -3.02696, 0.58734},
{C, 0.14476, 2.59527 , 2.40942},
{C, -0.91104 , 3.02696, 1.60285},
{C, 2.17518, 1.42300, 2.40942},
{C, 3.07694 , 0.72450 , 1.60286},
{C, 1.49837, 2.59527, 1.89238},
{C, 1.74762, 3.02696, 0.58734},
{C, -2.68294 , 2.30246, 0.24923},
{C, -3.33546, 1.17227, -0.24925},
{C, -1.74762, 3.02696, -0.58734},
{C, -1.49837, 2.59527, -1.89238},
{C, -0.65252 , 3.47473 , 0.24924},
{C, 0.65252 , 3.47473, -0.24924},
{C, -3.07694, -0.72450, -1.60286},
{C, -2.17518, -1.42300, -2.40942},
{C, -3.07694, 0.72450, -1.60286},
{C, -2.17518, 1.42300, -2.40942},
{C, 3.33546, -1.17227, 0.24925},
{C, 2.68294, -2.30246, -0.24923},
{C, 3.33546 , 1.17227, 0.24925},
{C, 2.68294, 2.30246, -0.24923},
{C, 3.49524 , 0.00000, -0.58733},
{C, 2.99676, 0.00000, -1.89237},
{C, 0.91104, -3.02696, -1.60285},
{C, -0.14476, -2.59527, -2.40942},
{C, 2.16591, -2.30246, -1.60285},
{C, 2.31995, -1.17227, -2.40941},
{C, -1.23985, -0.69850, -3.24600},
{C, -1.23985 , 0.69850, -3.24600},
{C, 0.01502, -1.42300, -3.24600},
{C, 1.22486, -0.72450, -3.24599},
{C, -0.14476, 2.59527, -2.40942},
{C, 0.91104 , 3.02696, -1.60285},
{C, 0.01502, 1.42300, -3.24600},
{C, 1.22486 , 0.72450, -3.24599},
{C, 2.16591, 2.30246, -1.60285},
{C, 2.31995, 1.17227, -2.40941}
};


指標表

Ih	E	12C5	12C52	20C3	15C2	i	12S10	12S103	20S6	15s
Ag	1	1	1	1	1	1	1	1	1	1		x2+y2+z2
T1g	3	(1+Sqrt[5])/2	(1-Sqrt[5])/2	0	-1	3	(1-Sqrt[5])/2	(1+Sqrt[5])/2	0	-1	(Rx,Ry,Rz)
T2g	3	(1-Sqrt[5])/2	(1+Sqrt[5])/2	0	-1	3	(1+Sqrt[5])/2	(1-Sqrt[5])/2	0	-1
Gg	4	-1	-1	1	0	4	-1	-1	1	0
Hg	5	0	0	-1	1	5	0	0	-1	1		(2z2-x2-y2,x2-y2,xy,yz,xz)
Au	1	1	1	1	1	-1	-1	-1	-1	-1
T1u	3	(1+Sqrt[5])/2	(1-Sqrt[5])/2	0	-1	-3	-(1-Sqrt[5])/2	-(1+Sqrt[5])/2	0	1	(x,y,z)
T2u	3	(1-Sqrt[5])/2	(1+Sqrt[5])/2	0	-1	-3	-(1+Sqrt[5])/2	-(1-Sqrt[5])/2	0	1
Gu	4	-1	-1	1	0	-4	1	1	-1	0
Hu	5	0	0	-1	1	-5	0	0	1	-1

直積表

Ih	Ag	T1g	T2g	Gg	Hg	Au	T1u	T2u	Gu	Hu
Ag	Ag
T1g	T1g	(Ag+T1g+Hg)
T2g	T2g	(Gg+Hg)	(Ag+T2g+Hg)
Gg	Gg	(T2g+Gg+Hg)	(T1g+Gg+Hg)	(Ag+T1g+T2g+Gg+Hg)
Hg	Hg	(T1g+T2g+Gg+Hg)	(T1g+T2g+Gg+Hg)	(T1g+T2g+Gg+2Hg)	(Ag+T1g+T2g+2Gg+2Hg)
Au	Au	T1u	T2u	Gu	Hu	Ag
T1u	T1u	(Au+T1u+Hu)	(Gu+Hu)	(T2u+Gu+Hu)	(T1u+T2u+Gu+Hu)	T1g	(Ag+T1g+Hg)
T2u	T2u	(Gu+Hu)	(Au+T2u+Hu)	(T1u+Gu+Hu)	(T1u+T2u+Gu+Hu)	T2g	(Gg+Hg)	(Ag+T2g+Hg)
Gu	Gu	(T2u+Gu+Hu)	(T1u+Gu+Hu)	(Au+T1u+T2u+Gu+Hu)	(T1u+T2u+Gu+2Hu)	Gg	(T2g+Gg+Hg)	(T1g+Gg+Hg)	(Ag+T1g+T2g+Gg+Hg)
Hu	Hu	(T1u+T2u+Gu+Hu)	(T1u+T2u+Gu+Hu)	(T1u+T2u+Gu+2Hu)	(Au+T1u+T2u+2Gu+2Hu)	Hg	(T1g+T2g+Gg+Hg)	(T1g+T2g+Gg+Hg)	(T1g+T2g+Gg+2Hg)	(Ag+T1g+T2g+2Gg+2Hg)