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)
0.14800
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05932
0.00000
0.00000
2
0.03985
0.00000
0.00000
3
0.01894
0.00000
-0.00483
4
0.01894
0.00000
0.00483
5
0.00720
0.00000
-0.09438
6
0.00720
0.00000
0.09438
7
0.02395
0.00000
0.04975
8
0.02395
0.00000
-0.04975
9
-0.07462
0.00000
0.04137
10
-0.07462
0.00000
-0.04137
11
-0.03568
0.00000
0.11104
12
-0.03568
0.00000
-0.11104
13
0.07330
0.00000
-0.09026
14
0.07330
0.00000
0.09026
15
0.05268
0.00000
-0.00041
16
0.05269
0.00000
0.00041
17
-0.04878
0.00000
0.09047
18
-0.04878
0.00000
-0.09047
19
0.02464
-0.00783
0.14381
20
0.02464
0.00783
0.14381
21
0.02464
0.00783
-0.14381
22
0.02464
-0.00783
-0.14381