Determine point group





Number of atoms 33
Sum formula C16 UH16
Molecular weight 446.18









Rotational Analysis
Rotational Constant A (GHz) 0.6540
Rotational Constant B (GHz) 0.4850
Rotational Constant C (GHz) 0.4850
Ray's asymmetry parameter -1.0000
Classification : Symmetric top (prolate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 U 92 0.000000 0.000000 0.000000
2 C 6 1.819000 0.000000 1.775000
3 C 6 1.286227 1.286227 1.775000
4 C 6 0.000000 1.819000 1.775000
5 C 6 -1.286227 1.286227 1.775000
6 C 6 -1.819000 0.000000 1.775000
7 C 6 -1.286227 -1.286227 1.775000
8 C 6 0.000000 -1.819000 1.775000
9 C 6 1.286227 -1.286227 1.775000
10 H 1 2.919400 0.000000 1.775000
11 H 1 2.064328 2.064328 1.775000
12 H 1 0.000000 2.919400 1.775000
13 H 1 -2.064328 2.064328 1.775000
14 H 1 -2.919400 0.000000 1.775000
15 H 1 -2.064328 -2.064328 1.775000
16 H 1 0.000000 -2.919400 1.775000
17 H 1 2.064328 -2.064328 1.775000
18 C 6 1.819000 0.000000 -1.775000
19 C 6 1.286227 -1.286227 -1.775000
20 C 6 0.000000 -1.819000 -1.775000
21 C 6 -1.286227 -1.286227 -1.775000
22 C 6 -1.819000 0.000000 -1.775000
23 C 6 -1.286227 1.286227 -1.775000
24 C 6 0.000000 1.819000 -1.775000
25 C 6 1.286227 1.286227 -1.775000
26 H 1 2.919400 0.000000 -1.775000
27 H 1 2.064328 -2.064328 -1.775000
28 H 1 0.000000 -2.919400 -1.775000
29 H 1 -2.064328 -2.064328 -1.775000
30 H 1 -2.919400 0.000000 -1.775000
31 H 1 -2.064328 2.064328 -1.775000
32 H 1 0.000000 2.919400 -1.775000
33 H 1 2.064328 2.064328 -1.775000









Determined point group D8h
Subgroups
(Number of different orientations)
Cs (3) , Ci , C2 (3) , C4 , C8 , D2 (2) , D4 (2) , D8 , C2v (4) , C4v (2) , C8v , C2h (3) , C4h , C8h , D2h (2) , D4h (2) , D2d (2) , D4d (2) , S4 , S8



3N representation
group E 2C8 2(C8)3 2C4 C2 (z) 4C2' 4C2'' i 2(S8)3 2S8 2S4 h 4v 4d -
D8h 99 2.4142 -0.4142 1 -1 -1 -1 -3 -2.4142 0.4142 -1 1 9 1 Submit
Cs 99 - - - - - - - - - - 1 - - Submit
Cs 99 - - - - - - - - - - - 9 - Submit
Cs 99 - - - - - - - - - - - - 1 Submit
Ci 99 - - - - - - -3 - - - - - - Submit
C2 99 - - - -1 - - - - - - - - - Submit
C2 99 - - - - -1 - - - - - - - - Submit
C2 99 - - - - - -1 - - - - - - - Submit
C4 99 - - 1 -1 - - - - - - - - - Submit
C8 99 2.4142 -0.4142 1 -1 - - - - - - - - - Submit
D2 99 - - - -1 -1 - - - - - - - - Submit
D2 99 - - - -1 - -1 - - - - - - - Submit
D4 99 - - 1 -1 -1 - - - - - - - - Submit
D4 99 - - 1 -1 - -1 - - - - - - - Submit
D8 99 2.4142 -0.4142 1 -1 -1 -1 - - - - - - - Submit
C2v 99 - - - -1 - - - - - - - 9 - Submit
C2v 99 - - - -1 - - - - - - - - 1 Submit
C2v 99 - - - - -1 - - - - - 1 9 - Submit
C2v 99 - - - - - -1 - - - - 1 - 1 Submit
C4v 99 - - 1 -1 - - - - - - - 9 - Submit
C4v 99 - - 1 -1 - - - - - - - - 1 Submit
C8v 99 2.4142 -0.4142 1 -1 - - - - - - - 9 1 Submit
C2h 99 - - - -1 - - -3 - - - 1 - - Submit
C2h 99 - - - - -1 - -3 - - - - 9 - Submit
C2h 99 - - - - - -1 -3 - - - - - 1 Submit
C4h 99 - - 1 -1 - - -3 - - -1 1 - - Submit
C8h - - - - - - - - - - - - - - Submit
D2h 99 - - - -1 -1 - -3 - - - 1 9 - Submit
D2h 99 - - - -1 - -1 -3 - - - 1 - 1 Submit
D4h 99 - - 1 -1 -1 - -3 - - -1 1 9 - Submit
D4h 99 - - 1 -1 - -1 -3 - - -1 1 - 1 Submit
D2d 99 - - - -1 -1 - - - - -1 - 9 - Submit
D2d 99 - - - -1 - -1 - - - -1 - - 1 Submit
D4d 99 - - 1 -1 -1 - - -2.4142 0.4142 - - - 1 Submit
D4d 99 - - 1 -1 - -1 - -2.4142 0.4142 - - 9 - Submit
S4 99 - - - -1 - - - - - -1 - - - Submit
S8 99 - - 1 -1 - - - -2.4142 0.4142 - - - - Submit









Determine point group from cartesian coordinates Character tables for chemically important point groups Determine point group from internal coordinates