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)
-0.53900
Eigenvectors
#
X
Y
Z
1
-0.00003
0.00000
0.03915
2
0.00000
0.00000
0.02798
3
0.00547
0.00000
0.02109
4
-0.00548
0.00000
0.02114
5
0.01632
0.00000
-0.02211
6
-0.01630
0.00000
-0.02209
7
0.01080
0.00000
-0.01156
8
-0.01076
0.00000
-0.01155
9
-0.00591
0.00000
0.01461
10
0.00588
0.00000
0.01459
11
-0.05621
0.00000
-0.00264
12
0.05622
0.00000
-0.00261
13
0.03644
0.00000
-0.02150
14
-0.03631
0.00000
-0.02149
15
0.08071
0.00000
-0.12620
16
-0.08066
0.00000
-0.12618
17
0.03461
0.00000
0.09423
18
-0.03465
0.00000
0.09423
19
-0.52398
0.00000
-0.33954
20
0.52389
0.00000
-0.33943