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)
-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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.17600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.07757
2
0.00000
0.00000
-0.05286
3
0.00000
0.00000
-0.01087
4
0.00000
0.00000
0.01276
5
0.00000
0.00000
-0.07653
6
0.00000
0.00000
-0.09091
7
0.00000
0.00000
0.02644
8
0.00000
0.00000
0.09257
9
0.00000
0.00000
0.00251
10
0.00000
0.00000
-0.05763
11
0.00000
0.00000
0.00660
12
0.00000
0.00000
0.08093
13
0.00000
0.00000
0.09007
14
0.00000
0.00000
0.05117
15
0.00000
0.00000
0.08159
16
0.00000
0.00000
0.03310
17
0.00000
0.00000
-0.07014
18
0.00000
0.00000
-0.06512
19
0.00000
0.00000
-0.11443
20
0.00000
0.00000
-0.04772
21
0.00000
0.00000
0.01998
22
0.00000
0.00000
-0.09345
23
0.00000
0.00000
0.13688
24
0.00000
0.00000
0.18169
25
0.00000
0.00000
0.10510
26
0.00000
0.00000
0.11451
27
0.00000
0.00000
0.15457
28
0.00000
0.00000
0.06806
29
0.00000
0.00000
-0.13173
30
0.00000
0.00000
-0.10910