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)
-462.67905
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04694 b
(cm-1)
0.03882 c
(cm-1)
0.02141
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.82674
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)
0.27300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.04447
2
0.00000
0.00000
0.02977
3
0.00783
0.00000
-0.05735
4
-0.00783
0.00000
-0.05735
5
-0.01486
0.00000
-0.00943
6
0.01486
0.00000
-0.00943
7
0.01209
0.00000
-0.01921
8
-0.01209
0.00000
-0.01921
9
0.00058
0.00000
0.04734
10
-0.00058
0.00000
0.04734
11
0.01502
0.00000
0.03584
12
-0.01502
0.00000
0.03584
13
-0.29391
0.00000
-0.02699
14
0.29391
0.00000
-0.02699
15
0.13490
0.00000
-0.22571
16
-0.13490
0.00000
-0.22571
17
0.19846
0.00000
0.42342
18
-0.19846
0.00000
0.42342
19
-0.06526
-0.00018
-0.02485
20
-0.06526
0.00018
-0.02485
21
0.06526
-0.00018
-0.02485
22
0.06526
0.00018
-0.02485