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)
-460.74533
Description
T0
Multiplicity
3
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05095 b
(cm-1)
0.03935 c
(cm-1)
0.02220
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.10117
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)
1.02500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.17572
2
0.00000
0.00000
-0.13853
3
0.00461
0.00000
-0.05866
4
-0.00461
0.00000
-0.05866
5
-0.02823
0.00000
0.03676
6
0.02823
0.00000
0.03676
7
0.01112
0.00000
0.05936
8
-0.01112
0.00000
0.05936
9
0.02186
0.00000
-0.06195
10
-0.02186
0.00000
-0.06195
11
-0.01776
0.00000
0.00335
12
0.01776
0.00000
0.00335
13
0.11382
0.00000
0.02981
14
-0.11382
0.00000
0.02981
15
-0.07288
0.00000
-0.06800
16
0.07288
0.00000
-0.06800
17
-0.05344
0.00000
0.07637
18
0.05344
0.00000
0.07637
19
-0.00281
0.00000
-0.00794
20
0.00281
0.00000
-0.00794