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)
0.00600
Diff mu Y
(Debye)
-0.04300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03521
0.02456
0.00000
2
-0.06508
0.05452
0.00000
3
0.07998
-0.10801
0.00000
4
0.01988
0.02029
0.00000
5
-0.01988
0.03429
0.00000
6
0.00227
0.02101
0.00000
7
0.03266
-0.09910
0.00000
8
-0.03230
-0.00110
0.00000
9
0.05561
-0.00493
0.00000
10
0.07278
-0.02945
0.00000
11
0.01095
0.00186
0.00000
12
-0.01274
-0.01096
0.00000
13
-0.05385
-0.02764
0.00000
14
-0.00945
0.00821
0.00000
15
-0.00898
0.00545
0.00000
16
-0.09766
0.03515
0.00000
17
0.00821
-0.01403
0.00000
18
0.06212
0.05820
0.00000
19
0.01566
0.20884
0.00000
20
-0.06267
0.07487
0.00000
21
0.06821
0.04037
0.00000
22
0.06625
-0.06500
0.00000
23
-0.03826
-0.01119
0.00000
24
-0.10721
0.02452
0.00000
25
-0.04058
-0.00262
0.00000
26
0.03550
-0.06322
0.00000
27
-0.03488
0.02779
0.00000
28
-0.09333
0.06307
0.00000
29
0.03571
-0.00379
0.00000
30
0.04468
0.08365
0.00000