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)
0.26000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00161
2
0.00000
0.00000
-0.00127
3
0.00000
0.00000
-0.01286
4
0.00000
0.00000
0.01093
5
0.00000
0.00000
0.00605
6
0.00000
0.00000
0.00044
7
0.00000
0.00000
0.03618
8
0.00000
0.00000
-0.04172
9
0.00000
0.00000
0.00306
10
0.00000
0.00000
-0.00653
11
0.00000
0.00000
0.01829
12
0.00000
0.00000
-0.00186
13
0.00000
0.00000
-0.02424
14
0.00000
0.00000
0.00721
15
0.00000
0.00000
0.02442
16
0.00000
0.00000
-0.01079
17
0.00000
0.00000
-0.08170
18
0.00000
0.00000
0.07504
19
0.00000
0.00000
0.04254
20
0.00000
0.00000
-0.07498
21
0.00000
0.00000
-0.17117
22
0.00000
0.00000
0.23140
23
0.00000
0.00000
-0.02868
24
0.00000
0.00000
0.04479
25
0.00000
0.00000
-0.00249
26
0.00000
0.00000
0.11339
27
0.00000
0.00000
-0.04203
28
0.00000
0.00000
0.06830
29
0.00000
0.00000
-0.25324
30
0.00000
0.00000
-0.42907
31
0.00000
0.00000
0.42425
32
0.00000
0.00000
0.40389