Determine point group





Number of atoms 3
Sum formula CO2
Molecular weight 43.99









Rotational Analysis
Rotational Constant A (GHz) Not defined
Rotational Constant B (GHz) 10.9709
Rotational Constant C (GHz) 10.9709
Classification : Symmetric top (prolate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 O 8 0.000000 0.000000 -1.200000
2 C 6 0.000000 0.000000 0.000000
3 O 8 0.000000 0.000000 1.200000









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 9 -3 0 3 4.8541 -1.8541 6 3+6cos(2πk/n) 3-3-2-1-0.3820-2.6180 0 -1+2cos(2πk/n) 1-1Submit
Cs 9 - - - - - - - - 3 - - - - - - - - - - Submit
Cs 9 - - - - - - - - - - - - - - - - - 1 - Submit
Ci 9 - - - - - - - - - -3 - - - - - - - - - Submit
C2 9 -3 - - - - - - - - - - - - - - - - - - Submit
C2 9 - - - - - - - - - - - - - - - - - - -1Submit
C3 9 - 0 - - - - - - - - - - - - - - - - - Submit
C4 9 -3 - 3 - - - - - - - - - - - - - - - - Submit
C6 9 -3 0 - - - 6 - - - - - - - - - - - - - Submit
D2 9 -3 - - - - - - - - - - - - - - - - - -1Submit









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