Charge: 0
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
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)
0.51800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05777
2
0.00000
0.00000
-0.02691
3
-0.01026
0.00000
-0.04114
4
0.01026
0.00000
-0.04114
5
-0.03527
0.00000
0.00761
6
0.03527
0.00000
0.00761
7
0.01745
0.00000
-0.02310
8
-0.01745
0.00000
-0.02310
9
0.01940
0.00000
0.05062
10
-0.01940
0.00000
0.05062
11
0.01329
0.00000
0.03592
12
-0.01329
0.00000
0.03592
13
-0.37176
0.00000
-0.01617
14
0.37176
0.00000
-0.01617
15
0.13766
0.00000
-0.22763
16
-0.13766
0.00000
-0.22763
17
0.17997
0.00000
0.36053
18
-0.17997
0.00000
0.36053
19
0.00359
0.00000
0.03123
20
-0.00359
0.00000
0.03123