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)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00004
0.00000
0.00000
2
0.00000
0.00000
0.00000
3
0.00001
-0.02801
-0.00002
4
0.00001
0.02801
0.00002
5
-0.00001
0.00001
0.00000
6
-0.00001
-0.00001
0.00000
7
-0.00001
0.00646
-0.00001
8
-0.00001
-0.00646
0.00001
9
0.00000
0.00053
0.00001
10
0.00000
-0.00053
-0.00001
11
0.00000
0.05417
0.00000
12
0.00000
-0.05417
0.00000
13
0.00003
0.00127
0.00000
14
0.00003
-0.00127
0.00000
15
-0.00009
-0.02104
0.00012
16
-0.00009
0.02104
-0.00012
17
-0.00001
-0.00593
0.00000
18
-0.00001
0.00593
0.00001
19
0.42808
-0.01524
0.20472
20
-0.42813
-0.01525
-0.20476
21
0.42808
0.01524
-0.20472
22
-0.42813
0.01525
0.20476