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)
-0.55600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06243
2
0.00000
0.00000
0.15877
3
-0.03087
0.00000
-0.04914
4
0.03086
0.00000
-0.04914
5
0.07791
0.00000
-0.02451
6
-0.07791
0.00000
-0.02451
7
-0.01439
0.00000
0.06820
8
0.01439
0.00000
0.06820
9
-0.03129
0.00000
-0.03266
10
0.03129
0.00000
-0.03266
11
-0.02316
0.00000
0.00827
12
0.02316
0.00000
0.00827
13
0.06369
0.00000
-0.02482
14
-0.06368
0.00000
-0.02482
15
0.15707
0.00000
-0.22396
16
-0.15706
0.00000
-0.22396
17
-0.06388
0.00000
-0.09833
18
0.06388
0.00000
-0.09832
19
0.07797
-0.01058
0.06436
20
0.07797
0.01058
0.06436
21
-0.07797
-0.01058
0.06437
22
-0.07797
0.01058
0.06437