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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.66300
Diff mu Y
(Debye)
0.12100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02587
0.00558
0.00000
2
-0.04997
-0.01608
0.00000
3
0.02177
0.00410
0.00000
4
0.03235
0.00626
0.00000
5
-0.01614
0.00920
0.00000
6
0.01662
0.01190
0.00000
7
-0.01787
-0.01529
0.00000
8
0.00289
0.02432
0.00000
9
-0.03340
-0.03707
0.00000
10
0.04700
-0.02634
0.00000
11
-0.06226
-0.01797
0.00000
12
0.02216
-0.00879
0.00000
13
0.00525
0.02617
0.00000
14
-0.00721
0.04948
0.00000
15
0.03886
0.00301
0.00000
16
-0.07910
-0.03443
0.00000
17
0.03099
0.00189
0.00000
18
0.00082
0.02922
0.00000
19
-0.06042
-0.00905
0.00000
20
0.00500
-0.03506
0.00000
21
-0.01634
-0.02348
0.00000
22
-0.04719
-0.12390
0.00000
23
0.05851
0.25045
0.00000
24
-0.15601
0.21388
0.00000
25
0.06899
0.10643
0.00000
26
-0.05904
-0.17889
0.00000
27
0.20625
-0.18719
0.00000
28
0.34617
0.04900
0.00000
29
0.25868
0.06879
0.00000
30
0.12779
-0.09789
0.00000
31
0.04781
0.04812
0.00000
32
0.07880
0.21944
0.00000