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)
-0.09700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.10393
0.00000
0.00000
2
0.03738
0.00000
0.00000
3
-0.04490
0.00000
0.09417
4
-0.04490
0.00000
-0.09417
5
0.01094
0.00000
0.00544
6
0.01094
0.00000
-0.00544
7
0.03640
0.00000
0.02822
8
0.03640
0.00000
-0.02822
9
0.01042
0.00000
-0.01693
10
0.01042
0.00000
0.01693
11
-0.00120
0.00000
-0.00268
12
-0.00120
0.00000
0.00268
13
-0.20463
0.00000
-0.00905
14
-0.20463
0.00000
0.00905
15
0.23005
0.00000
-0.28640
16
0.23005
0.00000
0.28640
17
-0.00112
0.00000
-0.04455
18
-0.00112
0.00000
0.04455
19
0.23312
0.00000
0.16981
20
0.23312
0.00000
-0.16981