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)
-0.49200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05382
0.00000
0.00000
2
0.04161
0.00000
0.00000
3
0.01889
0.00000
0.00055
4
0.01889
0.00000
-0.00055
5
0.06767
0.00000
0.09360
6
0.06767
0.00000
-0.09360
7
-0.02998
0.00000
-0.05552
8
-0.02998
0.00000
0.05552
9
-0.09979
0.00000
0.00034
10
-0.09979
0.00000
-0.00034
11
-0.01616
0.00000
0.03246
12
-0.01616
0.00000
-0.03247
13
0.21230
0.00000
0.11334
14
0.21231
0.00000
-0.11334
15
0.05770
0.00000
-0.20735
16
0.05770
0.00000
0.20735
17
-0.12437
0.00000
-0.02579
18
-0.12437
0.00000
0.02579
19
-0.00345
-0.00316
0.04140
20
-0.00345
0.00316
0.04140
21
-0.00345
0.00316
-0.04140
22
-0.00345
-0.00316
-0.04140