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)
0.27800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05185
2
0.00000
0.00000
0.06386
3
0.00000
0.00000
-0.09079
4
0.00000
0.00000
-0.04815
5
0.00000
0.00000
0.02034
6
0.00000
0.00000
0.07883
7
0.00000
0.00000
-0.01718
8
0.00000
0.00000
0.02868
9
0.00000
0.00000
-0.00990
10
0.00000
0.00000
0.00563
11
0.00000
0.00000
0.07712
12
0.00000
0.00000
-0.04275
13
0.00000
0.00000
0.02238
14
0.00000
0.00000
-0.07155
15
0.00000
0.00000
-0.00445
16
0.00000
0.00000
0.07412
17
0.00000
0.00000
0.04863
18
0.00000
0.00000
-0.06737
19
0.00000
0.00000
0.08316
20
0.00000
0.00000
-0.06449
21
0.00000
0.00000
0.10442
22
0.00000
0.00000
0.16412
23
0.00000
0.00000
-0.07963
24
0.00000
0.00000
-0.08132
25
0.00000
0.00000
-0.11602
26
0.00000
0.00000
0.02973
27
0.00000
0.00000
-0.25430
28
0.00000
0.00000
0.11487
29
0.00000
0.00000
0.14164
30
0.00000
0.00000
-0.24334
31
0.00000
0.00000
-0.01392
32
0.00000
0.00000
-0.17452