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)
-0.26800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02249
2
0.00000
0.00000
-0.06761
3
0.05548
0.00000
0.01253
4
-0.05548
0.00000
0.01253
5
-0.03270
0.00000
-0.04451
6
0.03270
0.00000
-0.04451
7
0.11202
0.00000
0.05341
8
-0.11202
0.00000
0.05341
9
-0.10005
0.00000
0.04463
10
0.10005
0.00000
0.04463
11
-0.00478
0.00000
-0.01083
12
0.00478
0.00000
-0.01083
13
0.06401
0.00000
-0.03754
14
-0.06401
0.00000
-0.03754
15
0.18064
0.00000
-0.06403
16
-0.18064
0.00000
-0.06403
17
-0.13747
0.00000
-0.03696
18
0.13747
0.00000
-0.03696
19
0.01481
0.00271
0.00866
20
0.01481
-0.00271
0.00866
21
-0.01481
0.00271
0.00866
22
-0.01481
-0.00271
0.00866