Charge: 2
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+2
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)
0.21900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05544
0.00000
0.00000
2
-0.03560
0.00000
0.00000
3
-0.03589
0.00000
-0.00407
4
-0.03589
0.00000
0.00407
5
-0.03638
0.00000
-0.01979
6
-0.03638
0.00000
0.01979
7
0.02061
0.00000
-0.02472
8
0.02061
0.00000
0.02472
9
0.03022
0.00000
0.01723
10
0.03022
0.00000
-0.01723
11
-0.05616
0.00000
-0.08048
12
-0.05616
0.00000
0.08048
13
0.19990
0.00000
-0.00953
14
0.19990
0.00000
0.00953
15
-0.00674
0.00000
0.02710
16
-0.00674
0.00000
-0.02710
17
0.03283
0.00000
0.01513
18
0.03283
0.00000
-0.01513
19
0.28991
0.01518
0.20275
20
0.28991
-0.01518
0.20275
21
0.28991
-0.01518
-0.20275
22
0.28991
0.01518
-0.20275