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 1.812078 0.158536 1.775000
3 C 6 1.169231 1.393435 1.775000
4 C 6 -0.158536 1.812078 1.775000
5 C 6 -1.393435 1.169231 1.775000
6 C 6 -1.812078 -0.158536 1.775000
7 C 6 -1.169231 -1.393435 1.775000
8 C 6 0.158536 -1.812078 1.775000
9 C 6 1.393435 -1.169231 1.775000
10 H 1 2.908291 0.254442 1.775000
11 H 1 1.876554 2.236390 1.775000
12 H 1 -0.254442 2.908291 1.775000
13 H 1 -2.236390 1.876554 1.775000
14 H 1 -2.908291 -0.254442 1.775000
15 H 1 -1.876554 -2.236390 1.775000
16 H 1 0.254442 -2.908291 1.775000
17 H 1 2.236390 -1.876554 1.775000
18 C 6 1.812078 -0.158536 -1.775000
19 C 6 1.169231 -1.393435 -1.775000
20 C 6 -0.158536 -1.812078 -1.775000
21 C 6 -1.393435 -1.169231 -1.775000
22 C 6 -1.812078 0.158536 -1.775000
23 C 6 -1.169231 1.393435 -1.775000
24 C 6 0.158536 1.812078 -1.775000
25 C 6 1.393435 1.169231 -1.775000
26 H 1 2.908291 -0.254442 -1.775000
27 H 1 1.876554 -2.236390 -1.775000
28 H 1 -0.254442 -2.908291 -1.775000
29 H 1 -2.236390 -1.876554 -1.775000
30 H 1 -2.908291 0.254442 -1.775000
31 H 1 -1.876554 2.236390 -1.775000
32 H 1 0.254442 2.908291 -1.775000
33 H 1 2.236390 1.876554 -1.775000









Determined point group D8
Subgroups
(Number of different orientations)
C2 (3) , C4 , C8 , D2 (2) , D4 (2)



3N representation
group E 2C8 2C4 2(C8)3 C2 4C'2 4C''2 -
D8 99 2.4142 1 -0.4142 -1 -1 -1 Submit
C2 99 - - - -1 - - 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
D2 99 - - - -1 - -1 Submit
D4 99 - 1 - -1 -1 - Submit
D4 99 - 1 - -1 - -1 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