Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
Electronic States
Energy
(eV)
-461.21366
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05139 b
(cm-1)
0.03981 c
(cm-1)
0.02243
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.36522
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.49000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04395
0.00000
0.00000
2
-0.06493
0.00000
0.00000
3
-0.01882
0.00000
-0.07865
4
-0.01882
0.00000
0.07865
5
0.03493
0.00000
0.01593
6
0.03493
0.00000
-0.01593
7
0.00208
0.00000
0.05660
8
0.00208
0.00000
-0.05660
9
-0.01577
0.00000
-0.04324
10
-0.01577
0.00000
0.04324
11
-0.02688
0.00000
-0.09669
12
-0.02688
0.00000
0.09669
13
-0.09264
0.00000
0.00678
14
-0.09264
0.00000
-0.00678
15
0.14830
0.00000
-0.18639
16
0.14830
0.00000
0.18639
17
0.08918
0.00000
0.15775
18
0.08918
0.00000
-0.15775
19
0.27125
0.00000
0.09484
20
0.27125
0.00000
-0.09484