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)
0.48300
Diff mu Y
(Debye)
-0.27700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00018
0.00000
0.00000
2
-0.00002
-0.00002
0.00000
3
-0.00162
0.00066
0.00000
4
-0.00038
-0.00065
0.00000
5
0.00043
0.00036
0.00000
6
0.00048
-0.00027
0.00000
7
0.03614
0.03152
0.00000
8
0.01036
-0.00514
0.00000
9
-0.02683
0.01036
0.00000
10
-0.01269
-0.01276
0.00000
11
0.00105
0.00075
0.00000
12
-0.00453
0.00179
0.00000
13
-0.01691
0.00533
0.00000
14
-0.00417
-0.00304
0.00000
15
0.00022
-0.00065
0.00000
16
0.00201
-0.00841
0.00000
17
-0.02890
0.00797
0.00000
18
-0.00961
-0.01169
0.00000
19
-0.00598
0.03207
0.00000
20
-0.02917
0.00641
0.00000
21
-0.41414
-0.35119
0.00000
22
-0.10705
0.03753
0.00000
23
0.30883
-0.10441
0.00000
24
0.14597
0.13093
0.00000
25
0.05967
-0.02025
0.00000
26
0.19808
-0.06358
0.00000
27
0.04036
0.03601
0.00000
28
-0.02119
0.09462
0.00000
29
0.08279
-0.35580
0.00000
30
0.12484
0.12233
0.00000
31
0.33261
-0.08566
0.00000
32
0.32449
-0.09078
0.00000