Determine point group





Number of atoms 11
Sum formula C3 H8
Molecular weight 44.06









Rotational Analysis
Rotational Constant A (GHz) 29.5536
Rotational Constant B (GHz) 8.3815
Rotational Constant C (GHz) 7.4295
Ray's asymmetry parameter -0.9139
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 -0.576150
2 C 6 1.275816 0.000000 0.268358
3 C 6 -1.275816 0.000000 0.268358
4 H 1 0.000000 -0.875550 -1.235213
5 H 1 0.000000 0.875550 -1.235213
6 H 1 2.172099 0.000000 -0.358129
7 H 1 -2.172099 0.000000 -0.358129
8 H 1 1.321073 -0.882796 0.914057
9 H 1 1.321073 0.882796 0.914057
10 H 1 -1.321073 0.882796 0.914057
11 H 1 -1.321073 -0.882796 0.914057









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



3N representation
group E C2 (z) v(xz) v(yz) -
C2v 33 -1 5 3 Submit
Cs 33 - 5 - Submit
Cs 33 - - 3 Submit
C2 33 -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