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)
-0.00900
Diff mu Y
(Debye)
0.38200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03079
-0.03335
0.00000
2
0.00488
0.03353
0.00000
3
0.02905
0.01965
0.00000
4
0.05199
-0.00026
0.00000
5
-0.02925
-0.03131
0.00000
6
-0.03150
0.03809
0.00000
7
0.03580
0.05315
0.00000
8
-0.04238
0.02256
0.00000
9
0.04786
-0.04333
0.00000
10
0.07404
0.01245
0.00000
11
0.03075
0.03534
0.00000
12
-0.01811
-0.04763
0.00000
13
-0.02292
0.03301
0.00000
14
-0.03229
-0.02260
0.00000
15
-0.04971
-0.04102
0.00000
16
0.01906
0.00221
0.00000
17
0.00926
0.03659
0.00000
18
-0.04131
-0.06059
0.00000
19
-0.04745
-0.09732
0.00000
20
-0.02321
-0.06600
0.00000
21
0.02601
-0.13112
0.00000
22
0.11891
0.16193
0.00000
23
0.02501
0.23935
0.00000
24
-0.18231
0.20052
0.00000
25
-0.28991
-0.08920
0.00000
26
0.16819
-0.24780
0.00000
27
0.01370
-0.10938
0.00000
28
0.04573
0.09375
0.00000
29
0.10973
0.05386
0.00000
30
-0.01706
-0.08591
0.00000