Determine point group





Number of atoms 35
Sum formula C19 H16
Molecular weight 244.12









Rotational Analysis
Rotational Constant A (GHz) 0.3865
Rotational Constant B (GHz) 0.3865
Rotational Constant C (GHz) 0.2258
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 0.000000 0.000000 0.734704
2 H 1 0.000000 0.000000 1.830604
3 C 6 1.473555 0.000000 0.319257
4 C 6 1.943531 -0.688370 -0.802098
5 C 6 3.291315 -0.634953 -1.158369
6 C 6 4.191870 0.102652 -0.395633
7 C 6 2.390481 0.736243 1.079542
8 C 6 3.735590 0.788782 0.729110
9 H 1 1.256480 -1.279136 -1.396359
10 H 1 3.636072 -1.177827 -2.031747
11 H 1 5.240104 0.139143 -0.670159
12 H 1 2.042556 1.277538 1.953885
13 H 1 4.428599 1.361952 1.335207
14 C 6 -0.736778 -1.276136 0.319257
15 C 6 -1.567911 -1.338962 -0.802098
16 C 6 -2.195543 -2.532886 -1.158369
17 C 6 -2.007036 -3.681592 -0.395633
18 C 6 -0.557635 -2.438338 1.079542
19 C 6 -1.184689 -3.629507 0.729110
20 H 1 -1.736004 -0.448576 -1.396359
21 H 1 -2.838064 -2.560017 -2.031747
22 H 1 -2.499550 -4.607635 -0.670159
23 H 1 0.085102 -2.407674 1.953885
24 H 1 -1.034814 -4.516256 1.335207
25 C 6 -0.736778 1.276136 0.319257
26 C 6 -0.375620 2.027332 -0.802098
27 C 6 -1.095772 3.167839 -1.158369
28 C 6 -2.184834 3.578940 -0.395633
29 C 6 -1.832845 1.702096 1.079542
30 C 6 -2.550900 2.840724 0.729110
31 H 1 0.479524 1.727711 -1.396359
32 H 1 -0.798008 3.737845 -2.031747
33 H 1 -2.740554 4.468492 -0.670159
34 H 1 -2.127658 1.130137 1.953885
35 H 1 -3.393785 3.154303 1.335207









Determined point group C3



3N representation
group E C3 (C3)2 -
C3 105 0 0 Submit









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