Determine point group





Number of atoms 18
Sum formula C10 H8
Molecular weight 128.06









Rotational Analysis
Rotational Constant A (GHz) 2.8554
Rotational Constant B (GHz) 1.2551
Rotational Constant C (GHz) 0.8719
Ray's asymmetry parameter -0.6136
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 0.000000 0.000000 -2.507968
2 C 6 0.000000 0.000000 2.695632
3 C 6 -1.263901 0.000000 -1.916855
4 C 6 1.263901 0.000000 -1.916855
5 C 6 -1.592445 0.000000 -0.560478
6 C 6 1.592445 0.000000 -0.560478
7 C 6 -0.749495 0.000000 0.544251
8 C 6 0.749495 0.000000 0.544251
9 C 6 -1.148370 0.000000 1.890399
10 C 6 1.148370 0.000000 1.890399
11 H 1 0.000000 0.000000 -3.594768
12 H 1 0.000000 0.000000 3.778132
13 H 1 -2.103785 0.000000 -2.604536
14 H 1 2.103785 0.000000 -2.604536
15 H 1 -2.656356 0.000000 -0.332803
16 H 1 2.656356 0.000000 -0.332803
17 H 1 -2.172425 0.000000 2.236624
18 H 1 2.172425 0.000000 2.236624









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



3N representation
group E C2 (z) v(xz) v(yz) -
C2v 54 -4 18 4 Submit
Cs 54 - 18 - Submit
Cs 54 - - 4 Submit
C2 54 -4 - - 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