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)
1.38700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05905
2
0.00000
0.00000
-0.05460
3
0.03915
0.00000
0.11375
4
-0.03915
0.00000
0.11375
5
0.00286
0.00000
0.03327
6
-0.00286
0.00000
0.03327
7
0.01035
0.00000
0.02801
8
-0.01035
0.00000
0.02801
9
-0.03198
0.00000
-0.03033
10
0.03198
0.00000
-0.03033
11
-0.06236
0.00000
-0.04297
12
0.06236
0.00000
-0.04297
13
0.12318
0.00000
0.02502
14
-0.12318
0.00000
0.02502
15
-0.15883
0.00000
-0.23809
16
0.15883
0.00000
-0.23809
17
0.01126
0.00000
-0.12283
18
-0.01126
0.00000
-0.12283
19
0.13254
0.00000
-0.19868
20
-0.13254
0.00000
-0.19868