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)
0.32500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01490
0.00000
0.00000
2
-0.06341
0.00000
0.00000
3
0.04575
0.00000
-0.05329
4
0.04575
0.00000
0.05329
5
0.08430
0.00000
0.01999
6
0.08430
0.00000
-0.01999
7
0.00658
0.00000
0.02121
8
0.00658
0.00000
-0.02121
9
-0.06478
0.00000
-0.05582
10
-0.06478
0.00000
0.05582
11
-0.03957
0.00000
-0.07503
12
-0.03957
0.00000
0.07503
13
-0.16349
0.00000
0.00468
14
-0.16349
0.00000
-0.00468
15
-0.04633
0.00000
0.09991
16
-0.04633
0.00000
-0.09991
17
0.05646
0.00000
0.18177
18
0.05646
0.00000
-0.18177
19
0.23528
0.00000
0.11693
20
0.23528
0.00000
-0.11693