Charge: -1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q-1
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)
0.49800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00117
0.00000
0.00000
2
-0.00046
0.00000
0.00000
3
0.00173
0.00000
0.00051
4
0.00173
0.00000
-0.00051
5
-0.00036
0.00000
0.00481
6
-0.00036
0.00000
-0.00481
7
-0.04798
0.00000
0.02891
8
-0.04800
0.00000
-0.02891
9
0.01871
0.00000
0.00714
10
0.01872
0.00000
-0.00714
11
-0.00051
0.00000
-0.00048
12
-0.00051
0.00000
0.00048
13
-0.00342
0.00000
-0.05490
14
-0.00342
0.00000
0.05492
15
0.53903
0.00000
-0.32612
16
0.53918
0.00000
0.32621
17
-0.20444
0.00000
-0.10834
18
-0.20450
0.00000
0.10837
19
0.00285
0.00000
0.00583
20
0.00285
0.00000
-0.00583