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)
0.18100
Diff mu Y
(Debye)
-0.87700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02656
-0.04506
0.00000
2
0.06350
-0.01564
0.00000
3
0.02020
0.05230
0.00000
4
-0.08919
0.01326
0.00000
5
-0.04576
-0.00554
0.00000
6
0.00112
0.05364
0.00000
7
0.02571
-0.02300
0.00000
8
0.00270
-0.02135
0.00000
9
0.05657
0.03378
0.00000
10
-0.05101
0.00943
0.00000
11
0.02515
-0.00039
0.00000
12
0.00552
0.02786
0.00000
13
0.02527
0.01850
0.00000
14
-0.00270
-0.06485
0.00000
15
-0.03147
-0.02662
0.00000
16
0.07075
0.01659
0.00000
17
-0.01759
-0.00808
0.00000
18
0.01791
-0.02280
0.00000
19
0.01020
0.00886
0.00000
20
0.00419
0.02124
0.00000
21
-0.13962
0.17290
0.00000
22
0.08145
0.22397
0.00000
23
-0.01899
-0.18965
0.00000
24
0.09355
-0.14885
0.00000
25
-0.10274
-0.28030
0.00000
26
-0.00928
-0.08609
0.00000
27
-0.15307
0.09663
0.00000
28
-0.28944
-0.05785
0.00000
29
-0.09327
-0.01527
0.00000
30
-0.09299
0.09419
0.00000
31
-0.01133
0.02242
0.00000
32
-0.03247
-0.09565
0.00000