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)
0.27700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.06231
2
0.00000
0.00000
-0.07233
3
-0.00609
0.00000
0.00484
4
0.00609
0.00000
0.00484
5
-0.03427
0.00000
0.10557
6
0.03427
0.00000
0.10557
7
0.02223
0.00000
-0.08482
8
-0.02223
0.00000
-0.08482
9
0.03575
0.00000
0.01874
10
-0.03575
0.00000
0.01874
11
-0.00753
0.00000
0.03152
12
0.00753
0.00000
0.03152
13
-0.26121
0.00000
0.13214
14
0.26121
0.00000
0.13214
15
-0.07255
0.00000
-0.25302
16
0.07256
0.00000
-0.25302
17
0.07869
0.00000
-0.04725
18
-0.07869
0.00000
-0.04725
19
-0.05623
0.00000
0.06676
20
0.05623
0.00000
0.06676