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)
-0.16900
Diff mu Y
(Debye)
-0.53500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01298
0.00576
0.00000
2
0.00220
0.00852
0.00000
3
0.04264
-0.00634
0.00000
4
0.03280
0.00952
0.00000
5
-0.03726
-0.01064
0.00000
6
-0.03817
-0.00882
0.00000
7
-0.01294
-0.03981
0.00000
8
-0.02516
0.03345
0.00000
9
0.01926
-0.03759
0.00000
10
0.01055
0.04308
0.00000
11
-0.00776
-0.02839
0.00000
12
-0.00861
0.01440
0.00000
13
0.02617
-0.01341
0.00000
14
0.00338
0.01951
0.00000
15
-0.01350
0.01831
0.00000
16
0.00544
-0.02651
0.00000
17
0.01927
-0.04826
0.00000
18
-0.02140
0.03613
0.00000
19
-0.01299
-0.01525
0.00000
20
0.03771
0.02422
0.00000
21
0.14449
-0.22911
0.00000
22
0.05976
0.30603
0.00000
23
-0.08527
-0.36077
0.00000
24
-0.21549
0.30190
0.00000
25
0.00056
0.04111
0.00000
26
0.03030
-0.00026
0.00000
27
-0.02209
0.04698
0.00000
28
0.00782
-0.02552
0.00000
29
-0.20502
-0.06316
0.00000
30
-0.20098
0.23000
0.00000
31
-0.02691
-0.21889
0.00000
32
0.10088
0.23507
0.00000