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)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.20100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05021
0.00000
0.00000
2
0.04020
0.00000
0.00000
3
0.01929
0.00000
-0.01510
4
0.01929
0.00000
0.01510
5
0.00234
0.00000
-0.09778
6
0.00234
0.00000
0.09778
7
0.02866
0.00000
0.05147
8
0.02866
0.00000
-0.05147
9
-0.06232
0.00000
0.03879
10
-0.06232
0.00000
-0.03879
11
-0.04268
0.00000
0.11444
12
-0.04268
0.00000
-0.11444
13
0.05277
0.00000
-0.09703
14
0.05277
0.00000
0.09703
15
0.05349
0.00000
0.01487
16
0.05349
0.00000
-0.01487
17
-0.03992
0.00000
0.08036
18
-0.03992
0.00000
-0.08036
19
0.02335
-0.01025
0.14610
20
0.02335
0.01025
0.14610
21
0.02335
0.01025
-0.14610
22
0.02335
-0.01025
-0.14610