Determine point group





Number of atoms 45
Sum formula C25 H20
Molecular weight 320.16









Rotational Analysis
Rotational Constant A (GHz) 0.2210
Rotational Constant B (GHz) 0.2161
Rotational Constant C (GHz) 0.2161
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 1.273060 0.000000 0.900048
2 C 6 0.000000 0.000000 0.000000
3 C 6 -1.272936 0.000000 0.900242
4 C 6 -0.000072 -1.273005 -0.900144
5 C 6 -0.000064 1.272998 -0.900154
6 C 6 2.395420 0.795728 0.655971
7 C 6 -2.395333 -0.795723 0.656342
8 C 6 0.795674 -2.395381 -0.656201
9 C 6 -0.795777 2.395376 -0.656112
10 C 6 3.518476 0.736667 1.483733
11 C 6 -3.518263 -0.736655 1.484275
12 C 6 0.736553 -3.518381 -1.484036
13 C 6 -0.736769 3.518369 -1.483964
14 C 6 3.545660 -0.115616 2.580434
15 C 6 -3.545281 0.115637 2.580972
16 C 6 -0.115810 -3.545491 -2.580676
17 C 6 0.115444 3.545470 -2.580721
18 C 6 1.313307 -0.845154 2.022459
19 C 6 -1.313012 0.845171 2.022652
20 C 6 -0.845307 -1.313175 -2.022496
21 C 6 0.845017 1.313159 -2.022622
22 C 6 2.430507 -0.908063 2.847759
23 C 6 -2.430086 0.908086 2.848121
24 C 6 -0.908276 -2.430319 -2.847867
25 C 6 0.907873 2.430296 -2.848011
26 H 1 2.405392 1.484110 -0.176543
27 H 1 -2.405432 -1.484111 -0.176165
28 H 1 1.484116 -2.405411 0.176262
29 H 1 -1.484105 2.405412 0.176445
30 H 1 4.370404 1.371423 1.265918
31 H 1 -4.370224 -1.371413 1.266594
32 H 1 1.371325 -4.370324 -1.266324
33 H 1 -1.371511 4.370314 -1.266172
34 H 1 4.417012 -0.157608 3.224229
35 H 1 -4.416535 0.157634 3.224899
36 H 1 -0.157848 -4.416799 -3.224527
37 H 1 0.157394 4.416773 -3.224585
38 H 1 0.451623 -1.458084 2.257741
39 H 1 -0.451293 1.458102 2.257798
40 H 1 -1.458254 -0.451476 -2.257675
41 H 1 1.457932 0.451457 -2.257878
42 H 1 2.426198 -1.573294 3.704384
43 H 1 -2.425648 1.573324 3.704740
44 H 1 -1.573569 -2.425953 -3.704444
45 H 1 1.573049 2.425922 -3.704679









Determined point group S4
Subgroup C2



3N representation
group E S4 C2 (S4)3 -
S4 135 -1 -1 -1 Submit
C2 135 - -1 - 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