Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-460.74502
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05226 b
(cm-1)
0.03846 c
(cm-1)
0.02216
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.65729
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.40900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03024
2
0.00000
0.00000
0.06467
3
-0.08356
0.00000
-0.09654
4
0.08356
0.00000
-0.09654
5
0.04516
0.00000
-0.02258
6
-0.04516
0.00000
-0.02258
7
0.06552
0.00000
0.05700
8
-0.06552
0.00000
0.05700
9
-0.04374
0.00000
0.01097
10
0.04374
0.00000
0.01097
11
-0.01990
0.00000
0.05830
12
0.01990
0.00000
0.05830
13
-0.15840
0.00000
-0.01076
14
0.15840
0.00000
-0.01076
15
-0.06910
0.00000
-0.17949
16
0.06910
0.00000
-0.17949
17
0.02128
0.00000
-0.12187
18
-0.02128
0.00000
-0.12187
19
0.06426
0.00000
0.02185
20
-0.06426
0.00000
0.02185