Determine point group





Number of atoms 31
Sum formula C11 H20
Molecular weight 152.16









Rotational Analysis
Rotational Constant A (GHz) 1.2215
Rotational Constant B (GHz) 1.1014
Rotational Constant C (GHz) 1.1014
Ray's asymmetry parameter -1.0000
Classification : Symmetric top (prolate)




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 2.040700 0.000000 0.000000
2 C 6 0.000000 0.000000 1.709500
3 C 6 0.000000 0.000000 -1.709500
4 H 1 0.000000 0.000000 2.805200
5 H 1 0.000000 0.000000 -2.805200
6 C 6 1.429648 0.469511 1.329539
7 C 6 -1.121432 1.003356 1.329539
8 C 6 -0.308216 -1.472867 1.329539
9 C 6 1.429648 0.469511 -1.329539
10 C 6 -0.308216 -1.472867 -1.329539
11 C 6 -1.121432 1.003356 -1.329539
12 C 6 -1.020350 -1.767298 0.000000
13 C 6 -1.020350 1.767298 0.000000
14 H 1 2.088060 -1.093975 0.000000
15 H 1 -1.991441 -1.261326 0.000000
16 H 1 -0.096620 2.355301 0.000000
17 H 1 3.087388 0.326735 0.000000
18 H 1 -1.260734 -2.837124 0.000000
19 H 1 -1.826655 2.510389 0.000000
20 H 1 1.477840 1.563458 1.390430
21 H 1 -2.092914 0.498118 1.390430
22 H 1 0.615075 -2.061576 1.390430
23 H 1 1.477840 1.563458 -1.390430
24 H 1 -2.092914 0.498118 -1.390430
25 H 1 0.615075 -2.061576 -1.390430
26 H 1 2.104251 0.107489 2.114780
27 H 1 -1.145214 1.768590 2.114780
28 H 1 -0.959037 -1.876079 2.114780
29 H 1 2.104251 0.107489 -2.114780
30 H 1 -1.145214 1.768590 -2.114780
31 H 1 -0.959037 -1.876079 -2.114780









Determined point group C3h
Subgroups Cs , C3



3N representation
group E C3(z) (C3)2 h S3 (S3)5 -
C3h 93 0 0 9 0 0 Submit
Cs 93 - - 9 - - Submit
C3 93 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