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)
-461.49413
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05061 b
(cm-1)
0.03995 c
(cm-1)
0.02232
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.29247
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.05600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06012
0.00000
0.00000
2
0.08005
0.00000
0.00000
3
-0.06849
0.00000
-0.05002
4
-0.06849
0.00000
0.05002
5
0.07715
0.00000
-0.05928
6
0.07715
0.00000
0.05928
7
-0.06023
0.00000
-0.06053
8
-0.06023
0.00000
0.06053
9
0.06919
0.00000
-0.05872
10
0.06919
0.00000
0.05872
11
-0.03134
0.00000
0.03317
12
-0.03134
0.00000
-0.03317
13
0.02722
0.00000
-0.06209
14
0.02722
0.00000
0.06209
15
-0.09480
0.00000
-0.00051
16
-0.09480
0.00000
0.00051
17
0.10463
0.00000
0.01048
18
0.10463
0.00000
-0.01048
19
0.00773
0.00000
0.06084
20
0.00773
0.00000
-0.06084