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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.42300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.11330
2
0.00000
0.00000
-0.06031
3
-0.04433
0.00000
-0.05644
4
0.04433
0.00000
-0.05644
5
-0.00144
0.00000
0.10716
6
0.00144
0.00000
0.10715
7
0.02381
0.00000
-0.03430
8
-0.02381
0.00000
-0.03429
9
-0.03573
0.00000
-0.00650
10
0.03573
0.00000
-0.00649
11
0.03649
0.00000
0.07808
12
-0.03649
0.00000
0.07808
13
0.10220
0.00000
0.12397
14
-0.10219
0.00000
0.12397
15
0.02844
0.00000
-0.04347
16
-0.02844
0.00000
-0.04346
17
-0.12715
0.00000
-0.16634
18
0.12714
0.00000
-0.16634
19
0.00259
-0.00836
0.03577
20
0.00259
0.00836
0.03577
21
-0.00259
-0.00836
0.03576
22
-0.00259
0.00836
0.03576