Determine point group





Number of atoms 6
Sum formula C4 H2
Molecular weight 50.02









Rotational Analysis
Rotational Constant A (GHz) Not defined
Rotational Constant B (GHz) 4.3926
Rotational Constant C (GHz) 4.3926
Classification : Symmetric top (prolate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 H 1 0.000000 0.000000 -2.952000
2 C 6 0.000000 0.000000 -1.894000
3 C 6 0.000000 0.000000 -0.689000
4 C 6 0.000000 0.000000 0.689000
5 C 6 0.000000 0.000000 1.894000
6 H 1 0.000000 0.000000 2.952000









Determined point group : D∞h
Subgroups CsCi
C2,C3,C4,C5,C6,…,C
D2,D3,D4,D5,D6,…,D
C2v,C3v,C4v,C5v,C6v,…,C∞v,
C2h,C3h,C4h,C5h,C6h,…,C∞h
D2h,D3h,D4h,D5h,D6h,…
D2d,D3d,D4d,D5d,D6d,…,D∞d
S4,S6,S8,S10,S12,…,S



Γ3N representation
group E 2C ∞ σv i 2S ∞C'2
C22C32C42C52(C5)22C62(Cn)k 2S32S42S52(S5)32S62(Sn)k σh
D∞h 18 -6 0 6 9.7082 -3.7082 12 6+12cos(2πk/n) 6000-0.0000-0.0000 0 0 00Submit
Cs 18 - - - - - - - - 6 - - - - - - - - - - Submit
Cs 18 - - - - - - - - - - - - - - - - - 0 - Submit
Ci 18 - - - - - - - - - 0 - - - - - - - - - Submit
C2 18 -6 - - - - - - - - - - - - - - - - - - Submit
C2 18 - - - - - - - - - - - - - - - - - - 0Submit
C3 18 - 0 - - - - - - - - - - - - - - - - - Submit
C4 18 -6 - 6 - - - - - - - - - - - - - - - - Submit
C6 18 -6 0 - - - 12 - - - - - - - - - - - - - Submit
D2 18 -6 - - - - - - - - - - - - - - - - - 0Submit









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