Charge: 1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q+1
Electronic States
Energy
(eV)
-460.74502
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05226 b
(cm-1)
0.03846 c
(cm-1)
0.02216
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.65729
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)
-0.09500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03755
2
0.00000
0.00000
-0.07528
3
-0.07552
0.00000
0.02152
4
0.07552
0.00000
0.02152
5
0.04502
0.00000
-0.04011
6
-0.04502
0.00000
-0.04011
7
-0.10320
0.00000
0.05018
8
0.10320
0.00000
0.05018
9
0.09034
0.00000
0.04200
10
-0.09034
0.00000
0.04200
11
-0.01840
0.00000
-0.01090
12
0.01840
0.00000
-0.01090
13
-0.04185
0.00000
-0.03429
14
0.04185
0.00000
-0.03428
15
-0.16792
0.00000
-0.04976
16
0.16792
0.00000
-0.04976
17
0.12567
0.00000
-0.01912
18
-0.12567
0.00000
-0.01912
19
-0.07932
0.00000
0.02855
20
0.07932
0.00000
0.02855