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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.09100
Diff mu Y
(Debye)
0.17700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03738
0.04117
0.00000
2
0.00094
0.04859
0.00000
3
-0.03741
-0.05211
0.00000
4
0.07172
-0.03874
0.00000
5
0.08667
-0.03325
0.00000
6
-0.04430
-0.06369
0.00000
7
0.01996
0.04323
0.00000
8
-0.03036
-0.03660
0.00000
9
0.00243
0.00861
0.00000
10
-0.02806
0.05732
0.00000
11
0.01213
0.02565
0.00000
12
-0.04672
0.00400
0.00000
13
-0.04601
-0.03594
0.00000
14
0.01677
-0.02107
0.00000
15
0.02370
0.02203
0.00000
16
0.05909
0.03278
0.00000
17
-0.00915
-0.00724
0.00000
18
-0.01013
0.00197
0.00000
19
0.02101
-0.00663
0.00000
20
-0.00487
0.01220
0.00000
21
0.08812
-0.03385
0.00000
22
-0.00683
0.01875
0.00000
23
-0.07090
-0.22801
0.00000
24
0.21541
-0.21907
0.00000
25
-0.02612
0.07964
0.00000
26
0.04549
0.25348
0.00000
27
-0.19116
0.21114
0.00000
28
-0.18313
-0.01124
0.00000
29
-0.07552
-0.02962
0.00000
30
-0.00051
-0.00955
0.00000
31
-0.01054
-0.00585
0.00000
32
-0.02288
-0.05295
0.00000