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)
1.42400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02992
0.00000
0.00000
2
-0.17416
0.00000
0.00000
3
0.01938
0.00000
0.03114
4
0.01938
0.00000
-0.03114
5
-0.00353
0.00000
-0.02976
6
-0.00353
0.00000
0.02976
7
-0.01865
0.00000
-0.01129
8
-0.01865
0.00000
0.01129
9
0.03769
0.00000
-0.01802
10
0.03769
0.00000
0.01802
11
-0.01184
0.00000
0.00479
12
-0.01184
0.00000
-0.00479
13
0.48159
0.00000
-0.00469
14
0.48159
0.00000
0.00469
15
-0.06489
0.00000
0.06417
16
-0.06489
0.00000
-0.06417
17
0.07612
0.00000
0.04986
18
0.07612
0.00000
-0.04986
19
0.04577
-0.00863
0.03334
20
0.04577
0.00863
0.03334
21
0.04577
0.00863
-0.03334
22
0.04577
-0.00863
-0.03334