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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 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)
-0.64800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.02005
2
0.00000
0.00000
0.02251
3
0.00000
0.00000
0.03656
4
0.00000
0.00000
-0.03287
5
0.00000
0.00000
-0.02926
6
0.00000
0.00000
-0.02864
7
0.00000
0.00000
-0.00457
8
0.00000
0.00000
0.01718
9
0.00000
0.00000
0.02776
10
0.00000
0.00000
0.02716
11
0.00000
0.00000
-0.07064
12
0.00000
0.00000
0.02217
13
0.00000
0.00000
0.03529
14
0.00000
0.00000
0.00513
15
0.00000
0.00000
0.04572
16
0.00000
0.00000
0.00760
17
0.00000
0.00000
0.07979
18
0.00000
0.00000
0.04511
19
0.00000
0.00000
-0.03873
20
0.00000
0.00000
-0.07373
21
0.00000
0.00000
-0.07146
22
0.00000
0.00000
-0.02737
23
0.00000
0.00000
-0.12549
24
0.00000
0.00000
-0.16181
25
0.00000
0.00000
-0.08308
26
0.00000
0.00000
-0.28197
27
0.00000
0.00000
0.01384
28
0.00000
0.00000
-0.09918
29
0.00000
0.00000
0.24816
30
0.00000
0.00000
-0.30305
31
0.00000
0.00000
-0.39468
32
0.00000
0.00000
0.41101