Determine point group





Number of atoms 26
Sum formula C10 H16
Molecular weight 136.12









Rotational Analysis
Rotational Constant A (GHz) 2.2093
Rotational Constant B (GHz) 1.4499
Rotational Constant C (GHz) 1.4245
Ray's asymmetry parameter -0.9353
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 1.573380 0.000000 0.000000
2 C 6 -1.573380 0.000000 0.000000
3 C 6 0.626492 1.127641 0.473176
4 C 6 -0.626492 1.127641 -0.473176
5 C 6 0.626492 -1.127641 -0.473176
6 C 6 -0.626492 -1.127641 0.473176
7 C 6 -0.208597 0.750454 -1.911197
8 C 6 0.208597 -0.750454 -1.911197
9 C 6 0.208597 0.750454 1.911197
10 C 6 -0.208597 -0.750454 1.911197
11 H 1 1.117403 2.104532 0.451001
12 H 1 -1.117403 2.104532 -0.451001
13 H 1 1.117403 -2.104532 -0.451001
14 H 1 -1.117403 -2.104532 0.451001
15 H 1 2.227319 -0.314937 0.818206
16 H 1 -2.227319 0.314937 0.818206
17 H 1 2.227319 0.314937 -0.818206
18 H 1 -2.227319 -0.314937 -0.818206
19 H 1 -1.040984 0.920989 -2.600505
20 H 1 1.040984 -0.920989 -2.600505
21 H 1 1.040984 0.920989 2.600505
22 H 1 -1.040984 -0.920989 2.600505
23 H 1 0.615667 1.385204 -2.251327
24 H 1 -0.615667 -1.385204 -2.251327
25 H 1 -0.615667 1.385204 2.251327
26 H 1 0.615667 -1.385204 2.251327









Determined point group D2
Subgroup
(Number of different orientations)
C2 (3)



3N representation
group E C2 (z) C2 (y) C2 (x) -
D2 78 0 0 -2 Submit
C2 78 0 - - Submit
C2 78 - 0 - Submit
C2 78 - - -2 Submit









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