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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.08800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00268
2
0.00000
0.00000
-0.07489
3
0.02598
0.00000
0.03369
4
-0.02598
0.00000
0.03369
5
0.06966
0.00000
-0.06677
6
-0.06966
0.00000
-0.06677
7
0.04297
0.00000
-0.01809
8
-0.04297
0.00000
-0.01809
9
0.07858
0.00000
-0.03474
10
-0.07858
0.00000
-0.03474
11
-0.01797
0.00000
0.11488
12
0.01797
0.00000
0.11488
13
0.11346
0.00000
-0.06807
14
-0.11346
0.00000
-0.06807
15
0.05192
0.00000
-0.02672
16
-0.05192
0.00000
-0.02672
17
0.09536
0.00000
-0.01191
18
-0.09536
0.00000
-0.01191
19
-0.01288
-0.00380
0.11179
20
-0.01288
0.00380
0.11179
21
0.01288
-0.00380
0.11179
22
0.01288
0.00380
0.11179