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)
-0.00700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00210
2
0.00000
0.00000
0.06732
3
-0.03563
0.00000
-0.02872
4
0.03563
0.00000
-0.02872
5
-0.07233
0.00000
0.05853
6
0.07233
0.00000
0.05853
7
-0.05050
0.00000
0.01765
8
0.05050
0.00000
0.01765
9
-0.08383
0.00000
0.03888
10
0.08383
0.00000
0.03888
11
0.01643
0.00000
-0.11101
12
-0.01643
0.00000
-0.11101
13
-0.11075
0.00000
0.05923
14
0.11075
0.00000
0.05923
15
-0.05956
0.00000
0.02781
16
0.05956
0.00000
0.02781
17
-0.09743
0.00000
0.01788
18
0.09743
0.00000
0.01788
19
0.01234
0.00168
-0.11220
20
0.01234
-0.00168
-0.11220
21
-0.01234
0.00168
-0.11220
22
-0.01234
-0.00168
-0.11220