Determine point group





Number of atoms 96
Sum formula C60 F36
Molecular weight 1403.94









Rotational Analysis
Rotational Constant A (GHz) 0.0301
Rotational Constant B (GHz) 0.0301
Rotational Constant C (GHz) 0.0301
Classification : Spherical top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 3.457375 0.683505 0.000000
2 C 6 3.008290 1.410140 1.175720
3 C 6 2.281654 2.585860 0.726635
4 C 6 3.008290 1.410140 -1.175720
5 C 6 2.281654 2.585860 -0.726635
6 C 6 3.457375 -0.683505 0.000000
7 C 6 3.008290 -1.410140 -1.175720
8 C 6 2.281654 -2.585860 -0.726635
9 C 6 3.008290 -1.410140 1.175720
10 C 6 2.281654 -2.585860 0.726635
11 C 6 2.585860 0.726635 2.281654
12 C 6 2.585860 -0.726635 2.281654
13 C 6 1.410140 -1.175720 3.008290
14 C 6 1.410140 1.175720 3.008290
15 C 6 0.683505 0.000000 3.457375
16 C 6 1.175720 3.008290 1.410140
17 C 6 0.726635 2.281654 2.585860
18 C 6 -0.726635 2.281654 2.585860
19 C 6 0.000000 3.457375 0.683505
20 C 6 -1.175720 3.008290 1.410140
21 C 6 2.585860 0.726635 -2.281654
22 C 6 1.410140 1.175720 -3.008290
23 C 6 0.683505 0.000000 -3.457375
24 C 6 2.585860 -0.726635 -2.281654
25 C 6 1.410140 -1.175720 -3.008290
26 C 6 1.175720 3.008290 -1.410140
27 C 6 0.000000 3.457375 -0.683505
28 C 6 -1.175720 3.008290 -1.410140
29 C 6 0.726635 2.281654 -2.585860
30 C 6 -0.726635 2.281654 -2.585860
31 C 6 -3.457375 -0.683505 0.000000
32 C 6 -3.008290 -1.410140 1.175720
33 C 6 -2.281654 -2.585860 0.726635
34 C 6 -3.008290 -1.410140 -1.175720
35 C 6 -2.281654 -2.585860 -0.726635
36 C 6 -3.457375 0.683505 0.000000
37 C 6 -3.008290 1.410140 -1.175720
38 C 6 -2.281654 2.585860 -0.726635
39 C 6 -3.008290 1.410140 1.175720
40 C 6 -2.281654 2.585860 0.726635
41 C 6 -2.585860 -0.726635 2.281654
42 C 6 -2.585860 0.726635 2.281654
43 C 6 -1.410140 1.175720 3.008290
44 C 6 -1.410140 -1.175720 3.008290
45 C 6 -0.683505 0.000000 3.457375
46 C 6 -1.175720 -3.008290 1.410140
47 C 6 -0.726635 -2.281654 2.585860
48 C 6 0.726635 -2.281654 2.585860
49 C 6 0.000000 -3.457375 0.683505
50 C 6 1.175720 -3.008290 1.410140
51 C 6 -2.585860 -0.726635 -2.281654
52 C 6 -1.410140 -1.175720 -3.008290
53 C 6 -0.683505 0.000000 -3.457375
54 C 6 -2.585860 0.726635 -2.281654
55 C 6 -1.410140 1.175720 -3.008290
56 C 6 -1.175720 -3.008290 -1.410140
57 C 6 0.000000 -3.457375 -0.683505
58 C 6 1.175720 -3.008290 -1.410140
59 C 6 -0.726635 -2.281654 -2.585860
60 C 6 0.726635 -2.281654 -2.585860
61 F 9 4.777534 0.944493 0.000000
62 F 9 4.156971 1.948586 -1.624656
63 F 9 3.152878 3.573242 -1.004093
64 F 9 4.777534 -0.944493 0.000000
65 F 9 4.156971 -1.948586 1.624656
66 F 9 3.152878 -3.573242 1.004093
67 F 9 3.573242 -1.004093 3.152878
68 F 9 1.948586 -1.624656 4.156971
69 F 9 0.944493 0.000000 4.777534
70 F 9 -1.004093 3.152878 3.573242
71 F 9 0.000000 4.777534 0.944493
72 F 9 -1.624656 4.156971 1.948586
73 F 9 3.573242 1.004093 -3.152878
74 F 9 1.948586 1.624656 -4.156971
75 F 9 0.944493 0.000000 -4.777534
76 F 9 1.624656 4.156971 -1.948586
77 F 9 0.000000 4.777534 -0.944493
78 F 9 1.004093 3.152878 -3.573242
79 F 9 -4.777534 -0.944493 0.000000
80 F 9 -4.156971 -1.948586 -1.624656
81 F 9 -3.152878 -3.573242 -1.004093
82 F 9 -4.777534 0.944493 0.000000
83 F 9 -4.156971 1.948586 1.624656
84 F 9 -3.152878 3.573242 1.004093
85 F 9 -3.573242 1.004093 3.152878
86 F 9 -1.948586 1.624656 4.156971
87 F 9 -0.944493 0.000000 4.777534
88 F 9 1.004093 -3.152878 3.573242
89 F 9 0.000000 -4.777534 0.944493
90 F 9 1.624656 -4.156971 1.948586
91 F 9 -3.573242 -1.004093 -3.152878
92 F 9 -1.948586 -1.624656 -4.156971
93 F 9 -0.944493 0.000000 -4.777534
94 F 9 -1.624656 -4.156971 -1.948586
95 F 9 0.000000 -4.777534 -0.944493
96 F 9 -1.004093 -3.152878 -3.573242









Determined point group T
Subgroups C2 , C3 , D2



3N representation
group E 4C3 4(C3)2 3C2 -
T 288 0 0 0 Submit
C2 288 - - 0 Submit
C3 288 0 0 - Submit
D2 288 - - 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