D6h対称性に属する分子


座標

molecule = {
{H, 0.000000000 , 0.000000000, -0.020393968},
{C, 0.000000000 , 0.000000000, 1.075605989},
{C, 0.000000000, 0.000000000 , 3.847966909},
{C, 0.000000000, -1.200467944 , 1.768697023},
{C, 0.000000000, 1.200466990 , 1.768695951},
{C, 0.000000000 , 1.200467944 , 3.154876947},
{C, 0.000000000, -1.200466990 , 3.154876947},
{H, 0.000000000, -2.149631679, 1.220696986},
{H, 0.000000000, 2.149630785, 1.220695972},
{H, 0.000000000, 2.149631739 , 3.702876925},
{H, 0.000000000, -2.149630249, 3.702877820},
{H, 0.000000000, 0.000000000 , 4.943966866}
};


指標表

D6h

E

2C6

2C62

C2

3C2'

3C2"

i

2S3

2S6

sh

3sd

3sv

A1g

1

1

1

1

1

1

1

1

1

1

1

1

x2+y2,z2

A1u

1

1

1

1

1

1

-1

-1

-1

-1

-1

-1

A2g

1

1

1

1

-1

-1

1

1

1

1

-1

-1

Rz

A2u

1

1

1

1

-1

-1

-1

-1

-1

-1

1

1

z

B1g

1

-1

1

-1

1

-1

1

-1

1

-1

1

-1

B1u

1

-1

1

-1

1

-1

-1

1

-1

1

-1

1

B2g

1

-1

1

-1

-1

1

1

-1

1

-1

-1

1

B2u

1

-1

1

-1

-1

1

-1

1

-1

1

1

-1

E1g

2

1

-1

-2

0

0

2

1

-1

-2

0

0

(Rx,Ry)

(xz,yz)

E1u

2

1

-1

-2

0

0

-2

-1

1

2

0

0

(x,y)

E2g

2

-1

-1

2

0

0

2

-1

-1

2

0

0

(x2-y2,xy)

E2u

2

-1

-1

2

0

0

-2

1

1

-2

0

0





直積表

D6h

A1g

A1u

A2g

A2u

B1g

B1u

B2g

B2u

E1g

E1u

E2g

E2u

A1g

A1g

A1u

A1u

A1g

A2g

A2g

A2u

A1g

A2u

A2u

A2g

A1u

A1g

B1g

B1g

B1u

B2g

B2u

A1g

B1u

B1u

B1g

B2u

B2g

A1u

A1g

B2g

B2g

B2u

B1g

B1u

A2g

A2u

A1g

B2u

B2u

B2g

B1u

B1g

A2u

A2g

A1u

A1g

E1g

E1g

E1u

E1g

E1u

E2g

E2u

E2g

E2u

(A1g+A2g+E2g)

E1u

E1u

E1g

E1u

E1g

E2u

E2g

E2u

E2g

(A1u+A2u+E2u)

(A1g+A2g+E2g)

E2g

E2g

E2u

E2g

E2u

E1g

E1u

E1g

E1u

(B1g+B2g+E1g)

(B1u+B2u+E1u)

(A1g+A2g+E2g)

E2u

E2u

E2g

E2u

E2g

E1u

E1g

E1u

E1g

(B1u+B2u+E1u)

(B1g+B2g+E1g)

(A1u+A2u+E2u)

(A1g+A2g+E2g)