Determine point group





Number of atoms 21
Sum formula C7 H13 N
Molecular weight 111.10









Rotational Analysis
Rotational Constant A (GHz) 2.5356
Rotational Constant B (GHz) 2.4138
Rotational Constant C (GHz) 2.4138
Ray's asymmetry parameter -1.0000
Classification : Symmetric top (prolate)




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 1.311202
2 H 1 0.000000 0.000000 2.404402
3 N 7 0.000000 0.000000 -1.274198
4 C 6 1.447012 0.000000 0.779809
5 C 6 -0.723506 1.253149 0.779809
6 C 6 -0.723506 -1.253149 0.779809
7 C 6 1.386817 0.000000 -0.781431
8 C 6 -0.693408 1.201019 -0.781431
9 C 6 -0.693408 -1.201019 -0.781431
10 H 1 1.981975 0.879581 1.151992
11 H 1 1.981975 -0.879581 1.151992
12 H 1 -1.752727 1.276650 1.151992
13 H 1 -0.229248 2.156231 1.151992
14 H 1 -0.229248 -2.156231 1.151992
15 H 1 -1.752727 -1.276650 1.151992
16 H 1 1.889600 -0.878987 -1.194409
17 H 1 1.889600 0.878987 -1.194409
18 H 1 -0.183575 2.075935 -1.194409
19 H 1 -1.706025 1.196948 -1.194409
20 H 1 -1.706025 -1.196948 -1.194409
21 H 1 -0.183575 -2.075935 -1.194409









Determined point group C3v
Subgroups Cs , C3



3N representation
group E 2C3 (z) 3v -
C3v 63 0 5 Submit
Cs 63 - 5 Submit
C3 63 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