Determine point group





Number of atoms 18
Sum formula C6 H12
Molecular weight 84.09









Rotational Analysis
Rotational Constant A (GHz) 4.2992
Rotational Constant B (GHz) 4.1713
Rotational Constant C (GHz) 2.4857
Ray's asymmetry parameter 0.8589
Classification : Asymmetric top




Symmetry adapted cartesian coordinates
Atom Number Atomic Symbol Atomic Number x-Coordinate (Angstrom) y-Coordinate (Angstrom) z-Coordinate (Angstrom)
1 C 6 1.369706 0.000000 0.421941
2 C 6 -1.369694 0.000000 0.421947
3 H 1 1.177197 0.000000 1.500739
4 H 1 -1.177181 0.000000 1.500743
5 H 1 2.458410 0.000000 0.308741
6 H 1 -2.458398 0.000000 0.308751
7 C 6 0.779133 1.270269 -0.209481
8 C 6 0.779133 -1.270269 -0.209481
9 C 6 -0.779138 -1.270274 -0.209481
10 C 6 -0.779138 1.270274 -0.209481
11 H 1 1.145901 1.350534 -1.238608
12 H 1 1.145901 -1.350534 -1.238608
13 H 1 -1.145913 -1.350534 -1.238606
14 H 1 -1.145913 1.350534 -1.238606
15 H 1 1.159585 2.151052 0.316109
16 H 1 1.159585 -2.151052 0.316109
17 H 1 -1.159596 -2.151054 0.316110
18 H 1 -1.159596 2.151054 0.316110









Determined point group C2v
Subgroups
(Number of different orientations)
Cs (2) , C2



3N representation
group E C2 (z) v(xz) v(yz) -
C2v 54 0 6 0 Submit
Cs 54 - 6 - Submit
Cs 54 - - 0 Submit
C2 54 0 - - Submit









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