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)
1.97200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.09487
0.00000
0.00000
2
-0.00967
0.00000
0.00000
3
0.09843
0.00000
0.02492
4
0.09843
0.00000
-0.02492
5
0.03932
0.00000
-0.01523
6
0.03932
0.00000
0.01523
7
-0.00930
0.00000
-0.01526
8
-0.00930
0.00000
0.01526
9
-0.04445
0.00000
0.05040
10
-0.04445
0.00000
-0.05040
11
-0.05012
0.00000
0.05507
12
-0.05012
0.00000
-0.05507
13
-0.05263
0.00000
-0.00943
14
-0.05263
0.00000
0.00943
15
-0.08462
0.00000
-0.13182
16
-0.08462
0.00000
0.13182
17
0.08300
0.00000
-0.19328
18
0.08300
0.00000
0.19328
19
0.27325
0.00000
-0.16775
20
0.27325
0.00000
0.16775