Charge: -1
Inchi:1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/q-1
Electronic States
Energy
(eV)
-691.62999
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03982 b
(cm-1)
0.00842 c
(cm-1)
0.00695
Dipole Moments
mu_x(Debye)
-0.27351 mu_y
(Debye)
0.67795 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.33000
Diff mu Y
(Debye)
1.29200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01096
-0.00691
0.00000
2
-0.02062
0.02151
0.00000
3
0.02956
-0.04581
0.00000
4
-0.01509
-0.02119
0.00000
5
-0.00889
-0.00594
0.00000
6
0.02162
0.03355
0.00000
7
0.05187
0.03298
0.00000
8
0.03788
-0.08316
0.00000
9
0.00005
-0.00438
0.00000
10
-0.00440
-0.00769
0.00000
11
-0.02896
0.07141
0.00000
12
-0.02447
0.06749
0.00000
13
-0.01197
0.00917
0.00000
14
0.01482
-0.00869
0.00000
15
-0.02489
-0.07615
0.00000
16
0.01139
0.04999
0.00000
17
0.03759
-0.02195
0.00000
18
-0.06663
-0.02787
0.00000
19
-0.00357
0.01558
0.00000
20
-0.00898
0.08296
0.00000
21
0.00181
0.00045
0.00000
22
-0.01554
-0.05001
0.00000
23
-0.01067
-0.27124
0.00000
24
-0.05593
0.05292
0.00000
25
0.05357
0.00009
0.00000
26
-0.12314
0.18540
0.00000
27
0.06011
-0.18910
0.00000
28
0.11089
0.34385
0.00000
29
0.30355
0.02955
0.00000
30
-0.16785
0.08097
0.00000