Charge: 0
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
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)
-0.63000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00028
2
0.00000
0.00000
0.00005
3
0.00199
0.00000
0.00063
4
-0.00199
0.00000
0.00063
5
-0.00025
0.00000
0.00557
6
0.00025
0.00000
0.00557
7
-0.04801
0.00000
0.02849
8
0.04800
0.00000
0.02848
9
0.01894
0.00000
0.00754
10
-0.01893
0.00000
0.00754
11
0.00056
0.00000
0.00029
12
-0.00056
0.00000
0.00030
13
-0.00420
0.00000
-0.06331
14
0.00420
0.00000
-0.06330
15
0.53716
0.00000
-0.32500
16
-0.53701
0.00000
-0.32491
17
-0.20819
0.00000
-0.11033
18
0.20814
0.00000
-0.11030
19
-0.00369
0.00000
-0.00644
20
0.00370
0.00000
-0.00644