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 1.784048 0.354869 1.775000
3 C 6 1.010582 1.512443 1.775000
4 C 6 -0.354869 1.784048 1.775000
5 C 6 -1.512443 1.010582 1.775000
6 C 6 -1.784048 -0.354869 1.775000
7 C 6 -1.010582 -1.512443 1.775000
8 C 6 0.354869 -1.784048 1.775000
9 C 6 1.512443 -1.010582 1.775000
10 H 1 2.863305 0.569547 1.775000
11 H 1 1.621932 2.427392 1.775000
12 H 1 -0.569547 2.863305 1.775000
13 H 1 -2.427392 1.621932 1.775000
14 H 1 -2.863305 -0.569547 1.775000
15 H 1 -1.621932 -2.427392 1.775000
16 H 1 0.569547 -2.863305 1.775000
17 H 1 2.427392 -1.621932 1.775000
18 C 6 1.784048 -0.354869 -1.775000
19 C 6 1.010582 -1.512443 -1.775000
20 C 6 -0.354869 -1.784048 -1.775000
21 C 6 -1.512443 -1.010582 -1.775000
22 C 6 -1.784048 0.354869 -1.775000
23 C 6 -1.010582 1.512443 -1.775000
24 C 6 0.354869 1.784048 -1.775000
25 C 6 1.512443 1.010582 -1.775000
26 H 1 2.863305 -0.569547 -1.775000
27 H 1 1.621932 -2.427392 -1.775000
28 H 1 -0.569547 -2.863305 -1.775000
29 H 1 -2.427392 -1.621932 -1.775000
30 H 1 -2.863305 0.569547 -1.775000
31 H 1 -1.621932 2.427392 -1.775000
32 H 1 0.569547 2.863305 -1.775000
33 H 1 2.427392 1.621932 -1.775000









Determined point group D8d
Subgroups
(Number of different orientations)
Cs , C2 (2) , C4 , C8 , D2 , D4 , D8 , C2v , C4v , C8v , S16



3N representation
group E 2S16 2C8 2(S16)3 2C4 2(S16)5 2(C8)3 2(S16)7 C2 8C'2 8d -
D8d 99 0.8478 2.4142 -0.2346 1 -1.7654 -0.4142 -2.8478 -1 -1 5 Submit
Cs 99 - - - - - - - - - 5 Submit
C2 99 - - - - - - - -1 - - Submit
C2 99 - - - - - - - - -1 - Submit
C4 99 - - - 1 - - - -1 - - Submit
C8 99 - 2.4142 - 1 - -0.4142 - -1 - - Submit
D2 99 - - - - - - - -1 -1 - Submit
D4 99 - - - 1 - - - -1 -1 - Submit
D8 99 - 2.4142 - 1 - -0.4142 - -1 -1 - Submit
C2v 99 - - - - - - - -1 - 5 Submit
C4v 99 - - - 1 - - - -1 - 5 Submit
C8v 99 - 2.4142 - 1 - -0.4142 - -1 - 5 Submit
S16 - - - - - - - - - - - Submit









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

Last update Mai, 23rd 2018 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement