D5h対称性に属する分子
座標
molecule = {
{C,-3.249501072,1.4555,0},
{C,-3.249501072,-1.4555,0},
{C,0.380111705,3.540233405,0},
{C,-2.388413814,2.640684934,0},
{C,3.484423025,0.732484572,0},
{C,1.773380156,3.087533043,0},
{C,1.773380156,-3.087533043,0},
{C,3.484423025,-0.732484572,0},
{C,-2.388413814,-2.640684934,0},
{C,0.380111705,-3.540233405,0},
{C,-3.392501072,0.717,1.198},
{C,-3.392501072,-0.717,1.198},
{C,-0.366432962,3.448025436,1.198},
{C,-1.730248007,3.004895066,1.198},
{C,3.166033047,1.413996914,1.198},
{C,2.323148995,2.574127283,1.198},
{C,2.323148995,-2.574127283,1.198},
{C,3.166033047,-1.413996914,1.198},
{C,-1.730248007,-3.004895066,1.198},
{C,-0.366432962,-3.448025436,1.198},
{C,-2.786501072,1.174,2.453},
{C,-2.786501072,-1.174,2.453},
{C,0.255464164,3.012905954,2.453},
{C,-1.977616536,2.287334051,2.453},
{C,2.944386608,0.688078284,2.453},
{C,1.564266836,2.587650187,2.453},
{C,1.564266836,-2.587650187,2.453},
{C,2.944386608,-0.688078284,2.453},
{C,-1.977616536,-2.287334051,2.453},
{C,0.255464164,-3.012905954,2.453},
{C,-2.415501072,0,3.239},
{C,-0.746430881,2.297278035,3.239},
{C,1.954181417,1.419795907,3.239},
{C,1.954181417,-1.419795907,3.239},
{C,-0.746430881,-2.297278035,3.239},
{C,-1.245501072,0,3.983},
{C,-0.384880998,1.184541911,3.983},
{C,1.007631534,0.732087162,3.983},
{C,1.007631534,-0.732087162,3.983},
{C,-0.384880998,-1.184541911,3.983},
{C,-3.392501072,0.717,-1.198},
{C,-3.392501072,-0.717,-1.198},
{C,-0.366432962,3.448025436,-1.198},
{C,-1.730248007,3.004895066,-1.198},
{C,3.166033047,1.413996914,-1.198},
{C,2.323148995,2.574127283,-1.198},
{C,2.323148995,-2.574127283,-1.198},
{C,3.166033047,-1.413996914,-1.198},
{C,-1.730248007,-3.004895066,-1.198},
{C,-0.366432962,-3.448025436,-1.198},
{C,-2.786501072,1.174,-2.453},
{C,-2.786501072,-1.174,-2.453},
{C,0.255464164,3.012905954,-2.453},
{C,-1.977616536,2.287334051,-2.453},
{C,2.944386608,0.688078284,-2.453},
{C,1.564266836,2.587650187,-2.453},
{C,1.564266836,-2.587650187,-2.453},
{C,2.944386608,-0.688078284,-2.453},
{C,-1.977616536,-2.287334051,-2.453},
{C,0.255464164,-3.012905954,-2.453},
{C,-2.415501072,0,-3.239},
{C,-0.746430881,2.297278035,-3.239},
{C,1.954181417,1.419795907,-3.239},
{C,1.954181417,-1.419795907,-3.239},
{C,-0.746430881,-2.297278035,-3.239},
{C,-1.245501072,0,-3.983},
{C,-0.384880998,1.184541911,-3.983},
{C,1.007631534,0.732087162,-3.983},
{C,1.007631534,-0.732087162,-3.983},
{C,-0.384880998,-1.184541911,-3.983}
};
指標表
D5h |
E |
2C5 |
2C52 |
5C2 |
s h |
2S5 |
2S53 |
5 sv |
|
|
A1' |
1 |
1 |
1 |
1 |
1 |
1 |
1 |
1 |
|
x2+y2,z2 |
A1" |
1 |
1 |
1 |
1 |
-1 |
-1 |
-1 |
-1 |
|
|
A2' |
1 |
1 |
1 |
-1 |
1 |
1 |
1 |
-1 |
Rz |
|
A2" |
1 |
1 |
1 |
-1 |
-1 |
-1 |
-1 |
1 |
z |
|
E1' |
2 |
2cos a |
2cos2 a |
0 |
2 |
2cos a |
2cos2 a |
0 |
(x,y) |
|
E1" |
2 |
2cos a |
2cos2 a |
0 |
-2 |
- 2cosa |
- 2cos2a |
0 |
(Rx,Ry) |
(xz,yz) |
E2' |
2 |
2cos2 a |
2cos a |
0 |
2 |
2cos2 a |
2cos a |
0 |
|
(x2-y2,xy) |
E2" |
2 |
2cos2 a |
2cos a |
0 |
-2 |
- 2cos2a |
- 2cosa |
0 |
|
|
a =2p/5 |
直積表
D5h |
A1' |
A1" |
A2' |
A2" |
E1' |
E1" |
E2' |
E2" |
A1' |
A1' |
|
|
|
|
|
|
|
A1" |
A1" |
A1' |
|
|
|
|
|
|
A2' |
A2' |
A2" |
A1' |
|
|
|
|
|
A2" |
A2" |
A2' |
A1" |
A1' |
|
|
|
|
E1' |
E1' |
E1" |
E1' |
E1" |
(A1'+A2'+E2') |
|
|
|
E1" |
E1" |
E1' |
E1" |
E1' |
(A1"+A2"+E2") |
(A1'+A2'+E2') |
|
|
E2' |
E2' |
E2" |
E2' |
E2" |
(E1'+E2') |
(E1"+E2") |
(A1'+A2'+E1') |
|
E2" |
E2" |
E2' |
E2" |
E2' |
(E1"+E2") |
(E1'+E2') |
(A1"+A2"+E1") |
(A1'+A2'+E1') |