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)
-462.45186
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04727 b
(cm-1)
0.03942 c
(cm-1)
0.02167
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.01975
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)
-0.75900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.06971
2
0.00000
0.00000
0.03751
3
-0.11513
0.00000
-0.03023
4
0.11513
0.00000
-0.03023
5
-0.05456
0.00000
-0.03874
6
0.05456
0.00000
-0.03874
7
0.02399
0.00000
0.00099
8
-0.02399
0.00000
0.00099
9
0.04894
0.00000
0.04244
10
-0.04894
0.00000
0.04244
11
-0.03346
0.00000
0.00005
12
0.03346
0.00000
0.00005
13
0.17726
0.00000
-0.02920
14
-0.17726
0.00000
-0.02920
15
0.15355
0.00000
-0.20544
16
-0.15355
0.00000
-0.20544
17
-0.03237
0.00000
-0.11672
18
0.03237
0.00000
-0.11672
19
0.14644
-0.07378
0.00828
20
0.14644
0.07378
0.00828
21
-0.14644
-0.07378
0.00828
22
-0.14644
0.07378
0.00828