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)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.88600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05188
0.00000
0.00000
2
0.00789
0.00000
0.00000
3
-0.00210
0.00000
-0.05533
4
-0.00210
0.00000
0.05533
5
0.00418
0.00000
0.00511
6
0.00418
0.00000
-0.00511
7
0.00550
0.00000
-0.00606
8
0.00550
0.00000
0.00606
9
-0.01365
0.00000
0.01136
10
-0.01365
0.00000
-0.01136
11
-0.04353
0.00000
-0.10782
12
-0.04352
0.00000
0.10782
13
-0.11059
0.00000
-0.00175
14
-0.11058
0.00000
0.00175
15
-0.01368
0.00000
0.02371
16
-0.01368
0.00000
-0.02373
17
0.01828
0.00000
0.07598
18
0.01828
0.00000
-0.07599
19
0.17034
0.13165
0.28757
20
0.17034
-0.13165
0.28757
21
0.17034
-0.13165
-0.28757
22
0.17034
0.13165
-0.28757