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)
-461.21366
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)
-1.01600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00271
2
0.00000
0.00000
-0.00272
3
0.02360
0.00000
0.02103
4
-0.02360
0.00000
0.02103
5
0.02371
0.00000
0.02031
6
-0.02371
0.00000
0.02031
7
-0.03606
0.00000
-0.03304
8
0.03606
0.00000
-0.03304
9
-0.00363
0.00000
0.00312
10
0.00363
0.00000
0.00312
11
0.10528
0.00000
-0.02897
12
-0.10528
0.00000
-0.02897
13
0.07569
0.00000
0.03091
14
-0.07569
0.00000
0.03091
15
-0.01002
0.00000
-0.08097
16
0.01002
0.00000
-0.08097
17
0.02597
0.00000
0.06792
18
-0.02597
0.00000
0.06792
19
0.48297
0.00000
0.22339
20
-0.48297
0.00000
0.22339