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)
0.95200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00045
0.00000
0.00000
2
0.17546
0.00000
0.00000
3
-0.01606
0.00000
-0.05790
4
-0.01606
0.00000
0.05790
5
0.00199
0.00000
0.02449
6
0.00199
0.00000
-0.02449
7
0.02117
0.00000
0.00805
8
0.02117
0.00000
-0.00805
9
-0.05138
0.00000
0.02019
10
-0.05138
0.00000
-0.02019
11
0.01269
0.00000
-0.00622
12
0.01269
0.00000
0.00622
13
-0.39772
0.00000
0.00565
14
-0.39772
0.00000
-0.00565
15
-0.01301
0.00000
0.05979
16
-0.01301
0.00000
-0.05979
17
-0.11612
0.00000
-0.09872
18
-0.11612
0.00000
0.09872
19
-0.13889
0.00000
-0.11578
20
-0.13889
0.00000
0.11578