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)
1.56000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04268
0.00000
0.00000
2
-0.17443
0.00000
0.00000
3
0.00060
0.00000
-0.04427
4
0.00060
0.00000
0.04427
5
0.01099
0.00000
0.02755
6
0.01099
0.00000
-0.02755
7
-0.00786
0.00000
-0.00158
8
-0.00786
0.00000
0.00158
9
0.02822
0.00000
0.02794
10
0.02822
0.00000
-0.02794
11
-0.00694
0.00000
-0.00502
12
-0.00694
0.00000
0.00502
13
0.45901
0.00000
-0.00498
14
0.45901
0.00000
0.00498
15
-0.07507
0.00000
-0.11010
16
-0.07507
0.00000
0.11010
17
0.00634
0.00000
0.07532
18
0.00634
0.00000
-0.07532
19
0.09641
0.00000
-0.08017
20
0.09641
0.00000
0.08017