Charge: 2
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+2
Electronic States
Energy
(eV)
-692.28642
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00844 c
(cm-1)
0.00694
Dipole Moments
mu_x(Debye)
-0.13629 mu_y
(Debye)
0.70909 mu_z
(Debye)
0.00000
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)
1.21200
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.09959
2
0.00000
0.00000
-0.04896
3
0.00000
0.00000
0.07975
4
0.00000
0.00000
0.00445
5
0.00000
0.00000
0.03331
6
0.00000
0.00000
0.03273
7
0.00000
0.00000
-0.07138
8
0.00000
0.00000
-0.00976
9
0.00000
0.00000
0.01818
10
0.00000
0.00000
-0.02537
11
0.00000
0.00000
0.06105
12
0.00000
0.00000
-0.04430
13
0.00000
0.00000
-0.01050
14
0.00000
0.00000
-0.03458
15
0.00000
0.00000
0.00980
16
0.00000
0.00000
-0.04793
17
0.00000
0.00000
0.03563
18
0.00000
0.00000
-0.00055
19
0.00000
0.00000
0.47910
20
0.00000
0.00000
0.28351
21
0.00000
0.00000
-0.16356
22
0.00000
0.00000
0.12489
23
0.00000
0.00000
0.12373
24
0.00000
0.00000
0.09908
25
0.00000
0.00000
0.23558
26
0.00000
0.00000
0.16532
27
0.00000
0.00000
0.16752
28
0.00000
0.00000
0.12949
29
0.00000
0.00000
-0.04987
30
0.00000
0.00000
-0.18928