Determine point group





Number of atoms 30
Sum formula C20 H10
Molecular weight 250.08









Rotational Analysis
Rotational Constant A (GHz) 0.5101
Rotational Constant B (GHz) 0.5101
Rotational Constant C (GHz) 0.2647
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 1.204400 0.000000 -0.602948
2 C 6 0.372180 -1.145452 -0.602948
3 C 6 -0.974380 -0.707929 -0.602948
4 C 6 -0.974380 0.707929 -0.602948
5 C 6 0.372180 1.145452 -0.602948
6 C 6 2.480979 0.000000 -0.072500
7 C 6 0.766665 -2.359552 -0.072500
8 C 6 -2.007154 -1.458283 -0.072500
9 C 6 -2.007154 1.458283 -0.072500
10 C 6 0.766665 2.359552 -0.072500
11 C 6 2.980826 -1.309268 0.283306
12 C 6 -0.324062 -3.239520 0.283306
13 C 6 -3.181107 -0.692865 0.283306
14 C 6 -1.641970 2.811305 0.283306
15 C 6 2.166314 2.430348 0.283306
16 C 6 2.980826 1.309268 0.283306
17 C 6 2.166314 -2.430348 0.283306
18 C 6 -1.641970 -2.811305 0.283306
19 C 6 -3.181107 0.692865 0.283306
20 C 6 -0.324062 3.239520 0.283306
21 H 1 3.998159 -1.410006 0.647966
22 H 1 -0.105496 -4.238191 0.647966
23 H 1 -4.063360 -1.209340 0.647966
24 H 1 -2.405798 3.490778 0.647966
25 H 1 2.576495 3.366760 0.647966
26 H 1 3.998159 1.410006 0.647966
27 H 1 2.576495 -3.366760 0.647966
28 H 1 -2.405798 -3.490778 0.647966
29 H 1 -4.063360 1.209340 0.647966
30 H 1 -0.105496 4.238191 0.647966









Determined point group C5v
Subgroups Cs , C5



3N representation
group E 2C5 (z) 2(C5)2 5v -
C5v 90 0.0000 -0.0000 2 Submit
Cs 90 - - 2 Submit
C5 90 0.0000 -0.0000 - 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