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)
-0.40400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.07448
0.00000
0.00000
2
0.02527
0.00000
0.00000
3
0.05496
0.00000
0.04751
4
0.05496
0.00000
-0.04751
5
-0.00798
0.00000
-0.05893
6
-0.00798
0.00000
0.05893
7
0.03902
0.00000
-0.03952
8
0.03902
0.00000
0.03952
9
-0.00826
0.00000
-0.05588
10
-0.00826
0.00000
0.05588
11
-0.10317
0.00000
-0.06344
12
-0.10317
0.00000
0.06344
13
-0.03081
0.00000
-0.05991
14
-0.03081
0.00000
0.05991
15
0.08202
0.00000
-0.11069
16
0.08202
0.00000
0.11069
17
-0.01170
0.00000
-0.06383
18
-0.01170
0.00000
0.06383
19
-0.16528
-0.00140
-0.10632
20
-0.16528
0.00140
-0.10632
21
-0.16528
0.00140
0.10632
22
-0.16528
-0.00140
0.10632