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)
-692.03603
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03932 b
(cm-1)
0.00852 c
(cm-1)
0.00700
Dipole Moments
mu_x(Debye)
0.12919 mu_y
(Debye)
-0.56125 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.09800
Diff mu Y
(Debye)
0.05700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00076
0.00035
0.00000
2
0.01572
-0.00367
0.00000
3
0.00003
0.00000
0.00000
4
-0.00017
0.00047
0.00000
5
-0.00094
-0.00155
0.00000
6
-0.00036
-0.00196
0.00000
7
0.00010
-0.00019
0.00000
8
0.01138
-0.00278
0.00000
9
0.04739
-0.01247
0.00000
10
-0.04160
0.01209
0.00000
11
0.00068
-0.00070
0.00000
12
-0.02031
-0.01914
0.00000
13
-0.01668
-0.01340
0.00000
14
0.00422
-0.00771
0.00000
15
-0.00469
-0.00295
0.00000
16
0.01951
-0.00762
0.00000
17
-0.00446
0.01735
0.00000
18
-0.00468
-0.00489
0.00000
19
-0.00665
0.00258
0.00000
20
-0.18168
0.04970
0.00000
21
-0.54372
0.14967
0.00000
22
0.47595
-0.13646
0.00000
23
-0.13948
0.04221
0.00000
24
0.18224
0.17509
0.00000
25
-0.02478
0.10111
0.00000
26
0.23520
0.21753
0.00000
27
0.05571
0.04568
0.00000
28
-0.22849
0.08001
0.00000
29
0.04157
-0.20203
0.00000
30
0.06399
0.05584
0.00000