Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.95100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.10578
0.00000
0.00000
2
0.00108
0.00000
0.00000
3
0.06543
0.00000
0.04541
4
0.06543
0.00000
-0.04541
5
-0.04128
0.00000
0.04029
6
-0.04128
0.00000
-0.04029
7
-0.09985
0.00000
-0.02060
8
-0.09985
0.00000
0.02060
9
0.06137
0.00000
-0.00427
10
0.06137
0.00000
0.00427
11
-0.02603
0.00000
0.05625
12
-0.02603
0.00000
-0.05625
13
-0.20662
0.00000
0.03179
14
-0.20662
0.00000
-0.03179
15
-0.12834
0.00000
0.00950
16
-0.12834
0.00000
-0.00950
17
0.13001
0.00000
0.11567
18
0.13001
0.00000
-0.11567
19
0.02467
-0.02184
0.05941
20
0.02467
0.02184
0.05941
21
0.02467
0.02184
-0.05941
22
0.02467
-0.02184
-0.05941