Determine point group





Number of atoms 33
Sum formula C21 H12
Molecular weight 264.09









Rotational Analysis
Rotational Constant A (GHz) 0.4611
Rotational Constant B (GHz) 0.4611
Rotational Constant C (GHz) 0.2442
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 1.212794 -0.716045 0.663127
2 C 6 -1.226510 -0.692288 0.663127
3 C 6 0.013716 1.408333 0.663127
4 C 6 1.212794 0.716045 0.663127
5 C 6 0.013716 -1.408333 0.663127
6 C 6 -1.226510 0.692288 0.663127
7 C 6 2.359282 -1.212155 0.038457
8 C 6 -2.229398 -1.437120 0.038457
9 C 6 -0.129884 2.649275 0.038457
10 C 6 2.359282 1.212155 0.038457
11 C 6 -0.129884 -2.649275 0.038457
12 C 6 -2.229398 1.437120 0.038457
13 C 6 2.272563 -2.507482 -0.476694
14 C 6 -3.307824 -0.714356 -0.476694
15 C 6 1.035261 3.221838 -0.476694
16 C 6 2.272563 2.507482 -0.476694
17 C 6 1.035261 -3.221838 -0.476694
18 C 6 -3.307824 0.714356 -0.476694
19 C 6 3.295594 0.000000 -0.215857
20 C 6 -1.647797 -2.854069 -0.215857
21 C 6 -1.647797 2.854069 -0.215857
22 H 1 4.158303 0.000000 0.460933
23 H 1 -2.079152 -3.601196 0.460933
24 H 1 -2.079152 3.601196 0.460933
25 H 1 3.687890 0.000000 -1.235816
26 H 1 -1.843945 -3.193807 -1.235816
27 H 1 -1.843945 3.193807 -1.235816
28 H 1 3.109288 -2.953161 -1.005234
29 H 1 -4.112156 -1.216142 -1.005234
30 H 1 1.002868 4.169303 -1.005234
31 H 1 3.109288 2.953161 -1.005234
32 H 1 1.002868 -4.169303 -1.005234
33 H 1 -4.112156 1.216142 -1.005234









Determined point group C3v
Subgroups Cs , C3



3N representation
group E 2C3 (z) 3v -
C3v 99 0 3 Submit
Cs 99 - 3 Submit
C3 99 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