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)
-461.48811
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Symmetry Elements
S0
Rotational Constants
(cm-1)
0.05036 b
(cm-1)
0.04065 c
(cm-1)
0.02249
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.14723
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)
0.09900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02454
2
0.00000
0.00000
-0.06312
3
0.06429
0.00000
0.01565
4
-0.06429
0.00000
0.01565
5
-0.03491
0.00000
-0.04976
6
0.03490
0.00000
-0.04976
7
0.11182
0.00000
0.05590
8
-0.11182
0.00000
0.05590
9
-0.09511
0.00000
0.03842
10
0.09511
0.00000
0.03842
11
0.00050
0.00000
-0.00825
12
-0.00050
0.00000
-0.00825
13
0.06037
0.00000
-0.04275
14
-0.06037
0.00000
-0.04275
15
0.17823
0.00000
-0.05288
16
-0.17823
0.00000
-0.05288
17
-0.12819
0.00000
-0.02916
18
0.12819
0.00000
-0.02916
19
0.04889
0.00000
0.02801
20
-0.04889
0.00000
0.02801