Determine point group





Number of atoms 24
Sum formula C14 H10
Molecular weight 178.08









Rotational Analysis
Rotational Constant A (GHz) 1.6194
Rotational Constant B (GHz) 0.5518
Rotational Constant C (GHz) 0.4115
Ray's asymmetry parameter -0.7677
Classification : Asymmetric top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 -0.728200 0.000000 -0.383949
2 C 6 0.728200 0.000000 -0.383949
3 C 6 -1.421229 0.000000 0.860718
4 C 6 1.421229 0.000000 0.860718
5 C 6 -0.678246 0.000000 2.086997
6 C 6 0.678246 0.000000 2.086997
7 H 1 -1.228909 0.000000 3.021874
8 H 1 1.228909 0.000000 3.021874
9 C 6 -1.498113 0.000000 -1.568651
10 C 6 1.498113 0.000000 -1.568651
11 C 6 -2.833879 0.000000 0.872578
12 C 6 2.833879 0.000000 0.872578
13 C 6 -2.877819 0.000000 -1.531727
14 C 6 2.877819 0.000000 -1.531727
15 C 6 -3.555741 0.000000 -0.300985
16 C 6 3.555741 0.000000 -0.300985
17 H 1 -1.005447 0.000000 -2.532318
18 H 1 1.005447 0.000000 -2.532318
19 H 1 -3.345141 0.000000 1.829684
20 H 1 3.345141 0.000000 1.829684
21 H 1 -3.440500 0.000000 -2.458485
22 H 1 3.440500 0.000000 -2.458485
23 H 1 -4.639582 0.000000 -0.277263
24 H 1 4.639582 0.000000 -0.277263









Determined point group C2v
Subgroups
(Number of different orientations)
Cs (2) , C2



3N representation
group E C2 (z) v(xz) v(yz) -
C2v 72 0 24 0 Submit
Cs 72 - 24 - Submit
Cs 72 - - 0 Submit
C2 72 0 - - 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