Determine point group





Number of atoms 20
Sum formula C10 H10
Molecular weight 130.08









Rotational Analysis
Rotational Constant A (GHz) 1.9887
Rotational Constant B (GHz) 1.9887
Rotational Constant C (GHz) 1.2042
Ray's asymmetry parameter 1.0000
Classification : Symmetric top (oblate)




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 1.021676
2 H 1 0.000000 0.000000 2.111076
3 C 6 1.446426 0.000000 0.432813
4 C 6 -0.723213 -1.252642 0.432813
5 C 6 -0.723213 1.252642 0.432813
6 C 6 1.504042 -1.273980 -0.388737
7 C 6 -1.855320 -0.665548 -0.388737
8 C 6 0.351278 1.939528 -0.388737
9 C 6 1.504042 1.273980 -0.388737
10 C 6 0.351278 -1.939528 -0.388737
11 C 6 -1.855320 0.665548 -0.388737
12 H 1 2.224140 0.000000 1.207195
13 H 1 -1.112070 -1.926162 1.207195
14 H 1 -1.112070 1.926162 1.207195
15 H 1 2.393918 -1.575724 -0.931026
16 H 1 -2.561577 -1.285332 -0.931026
17 H 1 0.167658 2.861056 -0.931026
18 H 1 2.393918 1.575724 -0.931026
19 H 1 0.167658 -2.861056 -0.931026
20 H 1 -2.561577 1.285332 -0.931026









Determined point group C3v
Subgroups Cs , C3



3N representation
group E 2C3 (z) 3v -
C3v 60 0 4 Submit
Cs 60 - 4 Submit
C3 60 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