Charge: 1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+1
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.39300
Diff mu Y
(Debye)
-0.13600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03388
0.07603
0.00000
2
0.03312
0.04252
0.00000
3
0.01320
0.07714
0.00000
4
0.02808
-0.00792
0.00000
5
0.00059
-0.02896
0.00000
6
-0.00102
-0.01146
0.00000
7
-0.05756
-0.03484
0.00000
8
-0.01600
-0.01659
0.00000
9
-0.01821
0.01203
0.00000
10
-0.00502
0.02433
0.00000
11
0.03932
0.00976
0.00000
12
0.03054
0.00797
0.00000
13
-0.06191
-0.05902
0.00000
14
-0.05201
-0.07376
0.00000
15
-0.00405
-0.04161
0.00000
16
0.00317
0.03166
0.00000
17
0.05450
-0.03664
0.00000
18
-0.07598
-0.06985
0.00000
19
-0.01702
0.10466
0.00000
20
0.06348
0.00768
0.00000
21
-0.01679
-0.08173
0.00000
22
0.00661
0.05409
0.00000
23
-0.00659
0.04669
0.00000
24
-0.01402
0.03706
0.00000
25
0.01854
-0.02966
0.00000
26
-0.07912
-0.10793
0.00000
27
-0.01641
-0.11571
0.00000
28
0.08804
0.04684
0.00000
29
0.04187
0.11900
0.00000
30
-0.03828
-0.11030
0.00000
31
0.07557
0.03843
0.00000
32
0.04657
-0.05299
0.00000