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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.43300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07584
2
0.00000
0.00000
-0.07529
3
-0.01789
0.00000
-0.04363
4
0.01789
0.00000
-0.04363
5
0.08790
0.00000
0.01353
6
-0.08790
0.00000
0.01353
7
0.02003
0.00000
0.06916
8
-0.02003
0.00000
0.06916
9
0.06895
0.00000
0.07688
10
-0.06895
0.00000
0.07688
11
0.00887
0.00000
-0.05587
12
-0.00887
0.00000
-0.05587
13
0.19668
0.00000
0.01916
14
-0.19668
0.00000
0.01916
15
-0.02035
0.00000
0.13625
16
0.02035
0.00000
0.13625
17
0.08283
0.00000
0.10164
18
-0.08283
0.00000
0.10164
19
-0.01354
0.00000
-0.07247
20
0.01354
0.00000
-0.07247