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)
-692.28642
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.03906 b
(cm-1)
0.00844 c
(cm-1)
0.00694
Dipole Moments
mu_x(Debye)
-0.13629 mu_y
(Debye)
0.70909 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.84900
Diff mu Y
(Debye)
-0.57000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02948
0.06658
0.00000
2
-0.05033
-0.00711
0.00000
3
-0.03658
0.00615
0.00000
4
-0.00865
0.00656
0.00000
5
0.09162
-0.08425
0.00000
6
0.11471
-0.00307
0.00000
7
0.00734
-0.02568
0.00000
8
0.00673
-0.00541
0.00000
9
-0.05175
-0.02375
0.00000
10
-0.03455
0.05038
0.00000
11
-0.00256
0.00093
0.00000
12
-0.00392
0.00904
0.00000
13
0.01561
0.02921
0.00000
14
-0.00686
-0.02931
0.00000
15
0.01473
-0.02499
0.00000
16
-0.01709
0.00338
0.00000
17
0.00161
0.00172
0.00000
18
-0.00269
0.00715
0.00000
19
0.05982
0.39833
0.00000
20
-0.14525
-0.35218
0.00000
21
-0.07951
-0.13800
0.00000
22
0.00804
0.18476
0.00000
23
0.03239
0.07321
0.00000
24
-0.03337
0.07999
0.00000
25
-0.05636
-0.03954
0.00000
26
0.05526
-0.05426
0.00000
27
-0.01655
0.01174
0.00000
28
0.01633
0.11041
0.00000
29
0.04466
0.01200
0.00000
30
0.02045
-0.01883
0.00000