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)
-0.36500
Diff mu Y
(Debye)
-1.08800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00800
-0.02643
0.00000
2
0.00830
0.09178
0.00000
3
-0.00864
0.01778
0.00000
4
0.00426
-0.05918
0.00000
5
-0.06689
0.01121
0.00000
6
0.04269
-0.06119
0.00000
7
0.02885
0.02706
0.00000
8
0.00837
-0.01784
0.00000
9
0.04141
0.02982
0.00000
10
-0.05937
-0.00983
0.00000
11
-0.01580
-0.05503
0.00000
12
-0.01782
0.04721
0.00000
13
-0.07935
0.00848
0.00000
14
0.12911
0.02394
0.00000
15
-0.00871
-0.03211
0.00000
16
0.02839
0.05536
0.00000
17
-0.06471
-0.02147
0.00000
18
0.03437
0.01538
0.00000
19
0.01501
0.00911
0.00000
20
-0.06428
-0.17457
0.00000
21
0.00451
-0.09566
0.00000
22
-0.06105
0.00384
0.00000
23
0.01479
-0.01399
0.00000
24
0.00522
-0.08644
0.00000
25
-0.22114
-0.06350
0.00000
26
0.08996
-0.07167
0.00000
27
-0.02974
-0.01230
0.00000
28
-0.00982
-0.06462
0.00000
29
0.07945
0.00943
0.00000
30
0.02906
0.02503
0.00000