Determine point group





Number of atoms 16
Sum formula C8 H6 N2
Molecular weight 130.05









Rotational Analysis
Rotational Constant A (GHz) 3.1829
Rotational Constant B (GHz) 1.3126
Rotational Constant C (GHz) 0.9293
Ray's asymmetry parameter -0.6598
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 -0.030613 -0.712743 0.000000
2 C 6 0.030613 0.712743 0.000000
3 N 7 -1.204728 -1.403427 0.000000
4 N 7 1.204728 1.403427 0.000000
5 C 6 -2.318101 -0.703507 0.000000
6 C 6 2.318101 0.703507 0.000000
7 C 6 -1.195512 1.421230 0.000000
8 C 6 1.195512 -1.421230 0.000000
9 C 6 -2.369765 0.712804 0.000000
10 C 6 2.369765 -0.712804 0.000000
11 H 1 -3.244558 -1.273011 0.000000
12 H 1 3.244558 1.273011 0.000000
13 H 1 -3.330771 1.213678 0.000000
14 H 1 3.330771 -1.213678 0.000000
15 H 1 -1.163434 2.504355 0.000000
16 H 1 1.163434 -2.504355 0.000000









Determined point group C2h
Subgroups Cs , Ci , C2



3N representation
group E C2 (z) i h -
C2h 48 0 0 16 Submit
Cs 48 0 - - Submit
Ci 48 - 0 - Submit
C2 48 - - 16 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