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)
0.10000
Diff mu Y
(Debye)
0.11200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01131
-0.09917
0.00000
2
0.05452
0.01460
0.00000
3
-0.02154
-0.06513
0.00000
4
-0.00090
-0.01900
0.00000
5
0.00788
-0.07409
0.00000
6
0.04530
0.02397
0.00000
7
0.02698
-0.02387
0.00000
8
0.01422
-0.03547
0.00000
9
-0.06630
-0.01919
0.00000
10
0.03514
0.06165
0.00000
11
0.03651
-0.00891
0.00000
12
0.05537
-0.02313
0.00000
13
-0.05320
0.00217
0.00000
14
-0.01665
0.11455
0.00000
15
0.04186
0.04958
0.00000
16
-0.04091
0.04740
0.00000
17
-0.05347
0.05432
0.00000
18
-0.05505
0.00022
0.00000
19
-0.01783
-0.11714
0.00000
20
0.05789
0.02299
0.00000
21
-0.04890
0.04511
0.00000
22
0.01908
0.00505
0.00000
23
0.00167
-0.07709
0.00000
24
0.01035
-0.06299
0.00000
25
0.01022
0.12061
0.00000
26
0.07870
-0.04914
0.00000
27
0.04956
0.03653
0.00000
28
-0.06304
-0.01347
0.00000
29
-0.01001
0.06506
0.00000
30
-0.06910
0.01820
0.00000