Determine point group





Number of atoms 70
Sum formula C70
Molecular weight 840.00









Rotational Analysis
Rotational Constant A (GHz) 0.0678
Rotational Constant B (GHz) 0.0586
Rotational Constant C (GHz) 0.0586
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 3.480200 -0.734500 0.000000
2 C 6 0.376890 -3.536840 0.000000
3 C 6 -3.247269 -1.451387 0.000000
4 C 6 -2.383813 2.639833 0.000000
5 C 6 1.773992 3.082894 0.000000
6 C 6 3.480200 0.734500 0.000000
7 C 6 1.773992 -3.082894 0.000000
8 C 6 -2.383813 -2.639833 0.000000
9 C 6 -3.247269 1.451387 0.000000
10 C 6 0.376890 3.536840 0.000000
11 C 6 3.161772 -1.412163 1.204436
12 C 6 -0.366006 -3.443406 1.204436
13 C 6 -3.387976 -0.715979 1.204436
14 C 6 -1.727878 3.000907 1.204436
15 C 6 2.320088 2.570641 1.204436
16 C 6 3.161772 -1.412163 -1.204436
17 C 6 -0.366006 -3.443406 -1.204436
18 C 6 -3.387976 -0.715979 -1.204436
19 C 6 -1.727878 3.000907 -1.204436
20 C 6 2.320088 2.570641 -1.204436
21 C 6 3.161772 1.412163 1.204436
22 C 6 2.320088 -2.570641 1.204436
23 C 6 -1.727878 -3.000907 1.204436
24 C 6 -3.387976 0.715979 1.204436
25 C 6 -0.366006 3.443406 1.204436
26 C 6 3.161772 1.412163 -1.204436
27 C 6 2.320088 -2.570641 -1.204436
28 C 6 -1.727878 -3.000907 -1.204436
29 C 6 -3.387976 0.715979 -1.204436
30 C 6 -0.366006 3.443406 -1.204436
31 C 6 2.930921 -0.692831 2.438684
32 C 6 0.246783 -3.001568 2.438684
33 C 6 -2.778401 -1.162240 2.438684
34 C 6 -1.963929 2.283265 2.438684
35 C 6 1.564626 2.573375 2.438684
36 C 6 2.930921 -0.692831 -2.438684
37 C 6 0.246783 -3.001568 -2.438684
38 C 6 -2.778401 -1.162240 -2.438684
39 C 6 -1.963929 2.283265 -2.438684
40 C 6 1.564626 2.573375 -2.438684
41 C 6 2.930921 0.692831 2.438684
42 C 6 1.564626 -2.573375 2.438684
43 C 6 -1.963929 -2.283265 2.438684
44 C 6 -2.778401 1.162240 2.438684
45 C 6 0.246783 3.001568 2.438684
46 C 6 2.930921 0.692831 -2.438684
47 C 6 1.564626 -2.573375 -2.438684
48 C 6 -1.963929 -2.283265 -2.438684
49 C 6 -2.778401 1.162240 -2.438684
50 C 6 0.246783 3.001568 -2.438684
51 C 6 -0.744934 -2.292672 -3.217006
52 C 6 -2.410658 0.000000 -3.217006
53 C 6 -0.744934 2.292672 -3.217006
54 C 6 1.950264 1.416949 -3.217006
55 C 6 1.950264 -1.416949 -3.217006
56 C 6 1.950264 -1.416949 3.217006
57 C 6 1.950264 1.416949 3.217006
58 C 6 -0.744934 2.292672 3.217006
59 C 6 -2.410658 0.000000 3.217006
60 C 6 -0.744934 -2.292672 3.217006
61 C 6 -0.381038 -1.172715 -3.963003
62 C 6 -1.233066 0.000000 -3.963003
63 C 6 -0.381038 1.172715 -3.963003
64 C 6 0.997571 0.724778 -3.963003
65 C 6 0.997571 -0.724778 -3.963003
66 C 6 0.997571 -0.724778 3.963003
67 C 6 0.997571 0.724778 3.963003
68 C 6 -0.381038 1.172715 3.963003
69 C 6 -1.233066 0.000000 3.963003
70 C 6 -0.381038 -1.172715 3.963003









Determined point group D5h
Subgroups
(Number of different orientations)
Cs (2) , C2 , C5 , D5 , C2v , C5v , C5h



3N representation
group E 2C5 2(C5)2 5C'2 h 2S5 2(S5)3 5v -
D5h 210 0.0000 -0.0000 0 10 -0.0000 -0.0000 4 Submit
Cs 210 - - - 10 - - - Submit
Cs 210 - - - - - - 4 Submit
C2 210 - - 0 - - - - Submit
C5 210 0.0000 -0.0000 - - - - - Submit
D5 210 0.0000 -0.0000 0 - - - - Submit
C2v 210 - - 0 10 - - 4 Submit
C5v 210 0.0000 -0.0000 - - - - 4 Submit
C5h 210 0.0000 -0.0000 - 10 -0.0000 -0.0000 - 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