Determine point group





Number of atoms 14
Sum formula C4 H10
Molecular weight 58.08









Rotational Analysis
Rotational Constant A (GHz) 23.4975
Rotational Constant B (GHz) 3.6008
Rotational Constant C (GHz) 3.3830
Ray's asymmetry parameter -0.9783
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 0.571377 -0.511194 0.000000
2 C 6 -0.571377 0.511194 0.000000
3 C 6 1.960797 0.131719 0.000000
4 C 6 -1.960797 -0.131719 0.000000
5 H 1 2.751689 -0.623434 0.000000
6 H 1 -2.751689 0.623435 0.000000
7 H 1 0.469491 -1.163266 0.876185
8 H 1 0.469491 -1.163266 -0.876185
9 H 1 -0.469492 1.163264 0.876186
10 H 1 -0.469492 1.163264 -0.876186
11 H 1 2.104578 0.762712 -0.882786
12 H 1 2.104578 0.762712 0.882786
13 H 1 -2.104578 -0.762712 -0.882786
14 H 1 -2.104578 -0.762712 0.882786









Determined point group C2h
Subgroups Cs , Ci , C2



3N representation
group E C2 (z) i h -
C2h 42 0 0 6 Submit
Cs 42 0 - - Submit
Ci 42 - 0 - Submit
C2 42 - - 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