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)
-692.28444
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00854 c
(cm-1)
0.00701
Dipole Moments
mu_x(Debye)
0.02298 mu_y
(Debye)
-0.00245 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.14500
Diff mu Y
(Debye)
-0.00400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02644
-0.00052
0.00000
2
-0.02478
-0.04191
0.00000
3
-0.07129
-0.02474
0.00000
4
0.03804
-0.00884
0.00000
5
0.02397
0.03841
0.00000
6
0.00143
-0.01179
0.00000
7
0.01558
-0.01291
0.00000
8
0.04717
0.03633
0.00000
9
-0.02739
-0.00991
0.00000
10
-0.00414
0.05432
0.00000
11
0.05121
0.01067
0.00000
12
-0.09047
0.04561
0.00000
13
0.01217
-0.03400
0.00000
14
0.04535
0.00173
0.00000
15
-0.03449
0.02238
0.00000
16
0.00111
-0.00308
0.00000
17
0.04052
0.01545
0.00000
18
-0.01334
-0.02536
0.00000
19
0.06181
0.11935
0.00000
20
0.04284
0.20416
0.00000
21
-0.01478
0.05216
0.00000
22
-0.07908
-0.20140
0.00000
23
-0.07265
-0.36096
0.00000
24
-0.13422
0.10619
0.00000
25
-0.26015
-0.07321
0.00000
26
0.19079
-0.25022
0.00000
27
0.06908
-0.10222
0.00000
28
-0.03105
-0.09779
0.00000
29
-0.16176
-0.02736
0.00000
30
-0.05234
0.01387
0.00000