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)
-0.21800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.04582
2
0.00000
0.00000
0.08401
3
-0.06773
0.00000
-0.02161
4
0.06773
0.00000
-0.02161
5
-0.00919
0.00000
0.07382
6
0.00919
0.00000
0.07382
7
-0.10985
0.00000
-0.03452
8
0.10985
0.00000
-0.03452
9
-0.08534
0.00000
-0.03667
10
0.08534
0.00000
-0.03667
11
0.00874
0.00000
-0.03989
12
-0.00874
0.00000
-0.03989
13
0.05334
0.00000
0.06980
14
-0.05334
0.00000
0.06980
15
-0.10586
0.00000
-0.02493
16
0.10586
0.00000
-0.02493
17
-0.04951
0.00000
-0.10821
18
0.04951
0.00000
-0.10821
19
-0.03613
0.00000
-0.00858
20
0.03613
0.00000
-0.00858