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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.74400
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05377
2
0.00000
0.00000
-0.00088
3
0.07678
0.00000
0.01575
4
-0.07678
0.00000
0.01575
5
0.02425
0.00000
0.03347
6
-0.02425
0.00000
0.03347
7
0.00228
0.00000
-0.00606
8
-0.00228
0.00000
-0.00606
9
-0.04720
0.00000
-0.05919
10
0.04720
0.00000
-0.05919
11
0.11622
0.00000
0.02172
12
-0.11622
0.00000
0.02172
13
0.01253
0.00000
0.03747
14
-0.01253
0.00000
0.03747
15
-0.11223
0.00000
0.18552
16
0.11223
0.00000
0.18552
17
0.08900
0.00000
0.20869
18
-0.08900
0.00000
0.20869
19
-0.14094
0.00000
-0.17405
20
0.14094
0.00000
-0.17405