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)
0.24600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05505
0.00000
0.00000
2
0.05514
0.00000
0.00000
3
0.02518
0.00000
0.00221
4
0.02518
0.00000
-0.00221
5
0.04169
0.00000
0.08270
6
0.04169
0.00000
-0.08270
7
-0.05122
0.00000
-0.08370
8
-0.05122
0.00000
0.08370
9
-0.06629
0.00000
0.03264
10
-0.06629
0.00000
-0.03264
11
-0.02289
0.00000
0.03808
12
-0.02289
0.00000
-0.03808
13
0.15711
0.00000
0.09728
14
0.15711
0.00000
-0.09728
15
0.07504
0.00000
-0.30164
16
0.07504
0.00000
0.30164
17
-0.04711
0.00000
0.08375
18
-0.04711
0.00000
-0.08375
19
0.03449
0.00000
0.07663
20
0.03449
0.00000
-0.07663