Determine point group





Number of atoms 30
Sum formula C18 H12
Molecular weight 228.09









Rotational Analysis
Rotational Constant A (GHz) 1.2612
Rotational Constant B (GHz) 0.2634
Rotational Constant C (GHz) 0.2179
Ray's asymmetry parameter -0.9128
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 0.428004 -0.563355 0.000000
2 C 6 -0.428004 0.563355 0.000000
3 C 6 -0.155754 -1.868449 0.000000
4 C 6 0.155754 1.868449 0.000000
5 C 6 -1.504225 -2.050467 0.000000
6 C 6 1.504225 2.050467 0.000000
7 C 6 -2.400855 -0.942526 0.000000
8 C 6 2.400855 0.942526 0.000000
9 C 6 -1.867872 0.379174 0.000000
10 C 6 1.867872 -0.379174 0.000000
11 C 6 -2.786920 1.457053 0.000000
12 C 6 2.786920 -1.457053 0.000000
13 C 6 -4.148407 1.242427 0.000000
14 C 6 4.148407 -1.242427 0.000000
15 C 6 -3.802047 -1.136832 0.000000
16 C 6 3.802047 1.136832 0.000000
17 C 6 -4.665891 -0.066295 0.000000
18 C 6 4.665891 0.066295 0.000000
19 H 1 0.484639 -2.739715 0.000000
20 H 1 -0.484639 2.739715 0.000000
21 H 1 -1.918694 -3.053184 0.000000
22 H 1 1.918694 3.053184 0.000000
23 H 1 -2.427110 2.477051 0.000000
24 H 1 2.427110 -2.477051 0.000000
25 H 1 -4.825193 2.089452 0.000000
26 H 1 4.825193 -2.089452 0.000000
27 H 1 -4.185054 -2.152089 0.000000
28 H 1 4.185054 2.152089 0.000000
29 H 1 -5.738122 -0.226272 0.000000
30 H 1 5.738122 0.226272 0.000000









Determined point group C2h
Subgroups Cs , Ci , C2



3N representation
group E C2 (z) i h -
C2h 90 0 0 30 Submit
Cs 90 0 - - Submit
Ci 90 - 0 - Submit
C2 90 - - 30 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