Determine point group





Number of atoms 22
Sum formula C12 H10
Molecular weight 154.08









Rotational Analysis
Rotational Constant A (GHz) 2.8701
Rotational Constant B (GHz) 0.5458
Rotational Constant C (GHz) 0.4771
Ray's asymmetry parameter -0.9426
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 0.742763 0.000000 0.000000
2 C 6 -0.742763 0.000000 0.000000
3 C 6 -1.463859 -0.416436 1.128678
4 C 6 1.463859 0.416436 1.128678
5 C 6 -1.463859 0.416436 -1.128678
6 C 6 1.463859 -0.416436 -1.128678
7 C 6 -2.855509 -0.416520 1.128906
8 C 6 -2.855509 0.416520 -1.128906
9 C 6 2.855509 0.416520 1.128906
10 C 6 2.855509 -0.416520 -1.128906
11 C 6 -3.557895 0.000000 0.000000
12 C 6 3.557895 0.000000 0.000000
13 H 1 -4.642010 0.000000 0.000000
14 H 1 4.642010 0.000000 0.000000
15 H 1 -0.927958 -0.766599 2.003654
16 H 1 -0.927958 0.766599 -2.003654
17 H 1 0.927958 0.766599 2.003655
18 H 1 0.927958 -0.766599 -2.003655
19 H 1 -3.392147 -0.750878 2.009991
20 H 1 -3.392147 0.750878 -2.009991
21 H 1 3.392147 0.750878 2.009992
22 H 1 3.392147 -0.750878 -2.009992









Determined point group D2
Subgroup
(Number of different orientations)
C2 (3)



3N representation
group E C2 (z) C2 (y) C2 (x) -
D2 66 0 0 -6 Submit
C2 66 0 - - Submit
C2 66 - 0 - Submit
C2 66 - - -6 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