Determine point group





Number of atoms 4
Sum formula C2 H2
Molecular weight 26.02









Rotational Analysis
Rotational Constant A (GHz) Not defined
Rotational Constant B (GHz) 35.7728
Rotational Constant C (GHz) 35.7728
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 -1.650000
2 C 6 0.000000 0.000000 -0.600000
3 C 6 0.000000 0.000000 0.600000
4 H 1 0.000000 0.000000 1.650000









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 12 -4 0 4 6.4721 -2.4721 8 4+8cos(2πk/n) 4000-0.0000-0.0000 0 0 00Submit
Cs 12 - - - - - - - - 4 - - - - - - - - - - Submit
Cs 12 - - - - - - - - - - - - - - - - - 0 - Submit
Ci 12 - - - - - - - - - 0 - - - - - - - - - Submit
C2 12 -4 - - - - - - - - - - - - - - - - - - Submit
C2 12 - - - - - - - - - - - - - - - - - - 0Submit
C3 12 - 0 - - - - - - - - - - - - - - - - - Submit
C4 12 -4 - 4 - - - - - - - - - - - - - - - - Submit
C6 12 -4 0 - - - 8 - - - - - - - - - - - - - Submit
D2 12 -4 - - - - - - - - - - - - - - - - - 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