Determine point group





Number of atoms 14
Sum formula C7 H7
Molecular weight 91.05









Rotational Analysis
Rotational Constant A (GHz) 3.7502
Rotational Constant B (GHz) 3.7502
Rotational Constant C (GHz) 1.8751
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 1.611500 0.000000 0.000000
2 C 6 1.004754 -1.259921 0.000000
3 C 6 -0.358592 -1.571096 0.000000
4 C 6 -1.451911 -0.699204 0.000000
5 C 6 -1.451911 0.699204 0.000000
6 C 6 -0.358593 1.571096 0.000000
7 C 6 1.004754 1.259921 0.000000
8 H 1 2.698800 0.000000 0.000000
9 H 1 1.682674 -2.110007 0.000000
10 H 1 -0.600539 -2.631135 0.000000
11 H 1 -2.431535 -1.170966 0.000000
12 H 1 -2.431535 1.170965 0.000000
13 H 1 -0.600540 2.631135 0.000000
14 H 1 1.682674 2.110007 0.000000









Determined point group D7h
Subgroups
(Number of different orientations)
Cs (2) , C2 , C7 , D7 , C2v , C7v , C7h



3N representation
group E 2C7 2(C7)2 2(C7)3 7C'2 h 2S7 2(S7)5 2(S7)3 7v -
D7h 42 0.0000 0.0000 -0.0000 -2 14 0.0000 -0.0000 -0.0000 2 Submit
Cs 42 - - - - 14 - - - - Submit
Cs 42 - - - - - - - - 2 Submit
C2 42 - - - -2 - - - - - Submit
C7 42 0.0000 0.0000 -0.0000 - - - - - - Submit
D7 42 0.0000 0.0000 -0.0000 -2 - - - - - Submit
C2v 42 - - - -2 14 - - - 2 Submit
C7v 42 0.0000 0.0000 -0.0000 - - - - - 2 Submit
C7h - - - - - - - - - - Submit









Determine point group from cartesian coordinates Character tables for chemically important point groups Determine point group from internal coordinates