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)
-1.93700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.15759
0.00000
0.00000
2
0.02981
0.00000
0.00000
3
-0.10248
0.00000
-0.02381
4
-0.10248
0.00000
0.02381
5
-0.03871
0.00000
-0.01051
6
-0.03871
0.00000
0.01051
7
0.01772
0.00000
-0.06074
8
0.01773
0.00000
0.06074
9
0.02745
0.00000
0.08797
10
0.02744
0.00000
-0.08797
11
0.01502
0.00000
0.00351
12
0.01502
0.00000
-0.00351
13
-0.03205
0.00000
-0.01109
14
-0.03205
0.00000
0.01109
15
-0.00300
0.00000
-0.03881
16
-0.00301
0.00000
0.03879
17
-0.09225
0.00000
-0.11913
18
-0.09224
0.00000
0.11911
19
-0.01199
-0.03556
-0.07814
20
-0.01199
0.03556
-0.07814
21
-0.01199
0.03556
0.07814
22
-0.01199
-0.03556
0.07814