Determine point group





Number of atoms 16
Sum formula C4 H6 O6
Molecular weight 150.02









Rotational Analysis
Rotational Constant A (GHz) 2.3624
Rotational Constant B (GHz) 0.9010
Rotational Constant C (GHz) 0.7453
Ray's asymmetry parameter -0.8074
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 -0.507572 -0.327896 0.495262
2 C 6 0.507572 0.327896 -0.495262
3 C 6 -0.037441 -0.064105 1.920840
4 C 6 0.037441 0.064105 -1.920840
5 O 8 -0.533891 1.056161 2.456233
6 O 8 0.533891 -1.056161 -2.456233
7 H 1 -0.138404 1.157228 3.336273
8 H 1 0.138404 -1.157228 -3.336273
9 O 8 0.716272 -0.815536 2.491424
10 O 8 -0.716272 0.815536 -2.491424
11 H 1 -1.489079 0.124489 0.336110
12 H 1 1.489079 -0.124489 -0.336110
13 O 8 -0.615203 -1.714598 0.283508
14 O 8 0.615203 1.714598 -0.283508
15 H 1 0.087210 -2.128881 0.804496
16 H 1 -0.087210 2.128881 -0.804496









Determined point group Ci



3N representation
group E i -
Ci 48 0 Submit









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