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)
0.09300
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02808
0.00000
0.00000
2
-0.05768
0.00000
0.00000
3
0.00776
0.00000
-0.06090
4
0.00776
0.00000
0.06090
5
-0.02223
0.00000
0.08373
6
-0.02223
0.00000
-0.08373
7
0.09185
0.00000
-0.02794
8
0.09185
0.00000
0.02794
9
0.06125
0.00000
-0.02873
10
0.06125
0.00000
0.02873
11
-0.09118
0.00000
0.05062
12
-0.09118
0.00000
-0.05062
13
-0.04752
0.00000
0.08004
14
-0.04752
0.00000
-0.08004
15
0.07498
0.00000
-0.00197
16
0.07498
0.00000
0.00197
17
0.00441
0.00000
-0.13810
18
0.00441
0.00000
0.13810
19
-0.08631
0.00000
0.05314
20
-0.08631
0.00000
-0.05314