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)
0.04900
Diff mu Y
(Debye)
0.42100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.13041
-0.00500
0.00000
2
-0.10778
0.06911
0.00000
3
0.04738
0.04111
0.00000
4
-0.03769
0.04478
0.00000
5
0.03630
-0.01768
0.00000
6
-0.01765
0.01012
0.00000
7
0.03221
-0.00956
0.00000
8
-0.01522
-0.03782
0.00000
9
0.02885
-0.01397
0.00000
10
-0.02316
0.01955
0.00000
11
-0.03822
-0.03610
0.00000
12
-0.05564
-0.06260
0.00000
13
-0.01454
-0.02804
0.00000
14
-0.01008
0.00183
0.00000
15
0.08939
0.01965
0.00000
16
0.03676
0.00367
0.00000
17
-0.02676
0.04812
0.00000
18
-0.05814
-0.04168
0.00000
19
0.13505
0.01228
0.00000
20
-0.09668
0.11118
0.00000
21
0.03926
0.01458
0.00000
22
-0.02466
0.02098
0.00000
23
-0.02236
-0.05374
0.00000
24
-0.02347
-0.01481
0.00000
25
0.02981
0.01379
0.00000
26
-0.06373
-0.05620
0.00000
27
0.09013
0.01916
0.00000
28
0.00729
-0.09626
0.00000
29
-0.00582
0.04870
0.00000
30
-0.02204
-0.08509
0.00000