Determine point group





Number of atoms 29
Sum formula C11 H18
Molecular weight 150.14









Rotational Analysis
Rotational Constant A (GHz) 1.3111
Rotational Constant B (GHz) 1.3111
Rotational Constant C (GHz) 1.1115
Ray's asymmetry parameter 1.0000
Classification : Symmetric top (oblate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 2.313600 0.000000 0.000000
2 C 6 0.000000 0.000000 0.797500
3 C 6 0.000000 0.000000 -0.797500
4 C 6 1.440677 -0.394349 1.202474
5 C 6 -1.061855 -1.050488 1.202474
6 C 6 -0.378822 1.444837 1.202474
7 C 6 1.440677 -0.394349 -1.202474
8 C 6 -0.378822 1.444837 -1.202474
9 C 6 -1.061855 -1.050488 -1.202474
10 C 6 -1.156800 2.003636 0.000000
11 C 6 -1.156800 -2.003636 0.000000
12 H 1 2.494420 1.080778 0.000000
13 H 1 -2.183191 1.619842 0.000000
14 H 1 -0.311228 -2.700620 0.000000
15 H 1 3.292047 -0.488021 0.000000
16 H 1 -1.223385 3.095007 0.000000
17 H 1 -2.068662 -2.606986 0.000000
18 H 1 1.504865 -1.478323 1.352589
19 H 1 -2.032698 -0.564090 1.352589
20 H 1 0.527833 2.042413 1.352589
21 H 1 1.504865 -1.478323 -1.352589
22 H 1 0.527833 2.042413 -1.352589
23 H 1 -2.032698 -0.564090 -1.352589
24 H 1 1.752591 0.076806 2.139372
25 H 1 -0.809780 -1.556191 2.139372
26 H 1 -0.942811 1.479386 2.139372
27 H 1 1.752591 0.076806 -2.139372
28 H 1 -0.942811 1.479386 -2.139372
29 H 1 -0.809780 -1.556191 -2.139372









Determined point group C3h
Subgroups Cs , C3



3N representation
group E C3(z) (C3)2 h S3 (S3)5 -
C3h 87 0 0 9 0 0 Submit
Cs 87 - - 9 - - Submit
C3 87 0 0 - - - 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