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)
0.02200
Diff mu Y
(Debye)
0.30100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03188
0.04104
0.00000
2
-0.02223
-0.04929
0.00000
3
-0.03808
0.02317
0.00000
4
-0.07269
-0.05814
0.00000
5
0.02246
0.04139
0.00000
6
0.00971
-0.03142
0.00000
7
0.04908
0.04986
0.00000
8
-0.06720
-0.10326
0.00000
9
0.03555
0.06031
0.00000
10
0.03779
-0.03625
0.00000
11
0.05081
0.04425
0.00000
12
0.02265
-0.06456
0.00000
13
0.04518
0.06634
0.00000
14
0.03184
-0.00427
0.00000
15
0.04431
0.00048
0.00000
16
-0.03057
-0.01691
0.00000
17
-0.05679
0.00285
0.00000
18
-0.02337
0.05279
0.00000
19
-0.04264
-0.00788
0.00000
20
-0.01236
-0.00545
0.00000
21
0.03346
0.04803
0.00000
22
0.04300
-0.01758
0.00000
23
-0.08172
-0.15093
0.00000
24
0.02679
0.08553
0.00000
25
-0.02345
-0.01794
0.00000
26
0.09653
-0.14573
0.00000
27
0.08191
-0.04599
0.00000
28
-0.04618
-0.06200
0.00000
29
-0.08809
-0.00327
0.00000
30
-0.06546
0.10440
0.00000