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)
-0.14200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.10061
0.00000
0.00000
2
-0.00325
0.00000
0.00000
3
0.01114
0.00000
0.10414
4
0.01114
0.00000
-0.10414
5
-0.03334
0.00000
0.03439
6
-0.03334
0.00000
-0.03439
7
-0.05898
0.00000
0.02066
8
-0.05898
0.00000
-0.02066
9
0.05756
0.00000
-0.04710
10
0.05756
0.00000
0.04710
11
-0.01257
0.00000
0.06202
12
-0.01257
0.00000
-0.06202
13
-0.26265
0.00000
0.02011
14
-0.26265
0.00000
-0.02011
15
-0.08808
0.00000
0.07454
16
-0.08808
0.00000
-0.07453
17
0.07527
0.00000
-0.01662
18
0.07527
0.00000
0.01662
19
0.06336
-0.00949
0.10238
20
0.06336
0.00949
0.10238
21
0.06336
0.00949
-0.10238
22
0.06336
-0.00949
-0.10238