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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.02800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00179
2
0.00000
0.00000
-0.00067
3
0.00000
0.00000
-0.00273
4
0.00000
0.00000
-0.00113
5
0.00000
0.00000
-0.00388
6
0.00000
0.00000
0.00066
7
0.00000
0.00000
-0.00814
8
0.00000
0.00000
0.00799
9
0.00000
0.00000
0.00441
10
0.00000
0.00000
-0.00319
11
0.00000
0.00000
0.00359
12
0.00000
0.00000
0.00250
13
0.00000
0.00000
0.00904
14
0.00000
0.00000
0.00006
15
0.00000
0.00000
-0.00503
16
0.00000
0.00000
-0.00173
17
0.00000
0.00000
-0.04947
18
0.00000
0.00000
0.09861
19
0.00000
0.00000
-0.10320
20
0.00000
0.00000
0.05397
21
0.00000
0.00000
0.05863
22
0.00000
0.00000
-0.04761
23
0.00000
0.00000
-0.02106
24
0.00000
0.00000
0.01603
25
0.00000
0.00000
-0.01168
26
0.00000
0.00000
-0.03971
27
0.00000
0.00000
-0.00055
28
0.00000
0.00000
0.00859
29
0.00000
0.00000
0.53268
30
0.00000
0.00000
-0.50343
31
0.00000
0.00000
0.24446
32
0.00000
0.00000
-0.27733