Charge: 2
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+2
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)
-0.19900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.05451
2
0.00000
0.00000
0.01615
3
0.00456
0.00000
0.03468
4
-0.00456
0.00000
0.03468
5
-0.03645
0.00000
-0.00477
6
0.03645
0.00000
-0.00477
7
0.00665
0.00000
0.03371
8
-0.00665
0.00000
0.03371
9
0.02308
0.00000
-0.05743
10
-0.02308
0.00000
-0.05743
11
-0.00093
0.00000
-0.02786
12
0.00093
0.00000
-0.02786
13
-0.29280
0.00000
0.01583
14
0.29280
0.00000
0.01583
15
0.14108
0.00000
0.25919
16
-0.14108
0.00000
0.25919
17
0.20373
0.00000
-0.40176
18
-0.20373
0.00000
-0.40176
19
0.00376
0.00000
-0.03592
20
-0.00376
0.00000
-0.03592