Determine point group





Number of atoms 17
Sum formula C9 H7 N
Molecular weight 129.06









Rotational Analysis
Rotational Constant A (GHz) 3.1560
Rotational Constant B (GHz) 1.2723
Rotational Constant C (GHz) 0.9068
Ray's asymmetry parameter -0.6750
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 0.027369 -0.685803 0.000000
2 C 6 -0.002760 0.743780 0.000000
3 C 6 -1.198719 -1.398146 0.000000
4 C 6 -1.255089 1.409335 0.000000
5 C 6 -2.395795 -0.724714 0.000000
6 C 6 -2.425472 0.690513 0.000000
7 N 7 1.193081 -1.394241 0.000000
8 C 6 1.240552 1.422280 0.000000
9 C 6 2.320949 -0.719484 0.000000
10 C 6 2.402918 0.694513 0.000000
11 H 1 -1.148130 -2.480164 0.000000
12 H 1 -1.273626 2.494477 0.000000
13 H 1 -3.328649 -1.277229 0.000000
14 H 1 -3.379546 1.205310 0.000000
15 H 1 3.235105 -1.309083 0.000000
16 H 1 3.372951 1.177446 0.000000
17 H 1 1.257475 2.507548 0.000000









Determined point group Cs



3N representation
group E h -
Cs 51 17 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