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)
0.52800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.11770
2
0.00000
0.00000
0.06751
3
0.00000
0.00000
-0.03630
4
0.00000
0.00000
-0.10306
5
0.00000
0.00000
-0.12053
6
0.00000
0.00000
-0.02404
7
0.00000
0.00000
-0.02355
8
0.00000
0.00000
0.00081
9
0.00000
0.00000
0.01593
10
0.00000
0.00000
-0.04887
11
0.00000
0.00000
-0.02553
12
0.00000
0.00000
0.04753
13
0.00000
0.00000
0.02702
14
0.00000
0.00000
0.04722
15
0.00000
0.00000
0.02452
16
0.00000
0.00000
-0.06391
17
0.00000
0.00000
0.03550
18
0.00000
0.00000
-0.03157
19
0.00000
0.00000
0.03539
20
0.00000
0.00000
-0.02830
21
0.00000
0.00000
0.11482
22
0.00000
0.00000
0.18895
23
0.00000
0.00000
0.25850
24
0.00000
0.00000
0.10700
25
0.00000
0.00000
0.23388
26
0.00000
0.00000
0.12516
27
0.00000
0.00000
0.13178
28
0.00000
0.00000
-0.03137
29
0.00000
0.00000
0.03543
30
0.00000
0.00000
-0.08505
31
0.00000
0.00000
0.04759
32
0.00000
0.00000
-0.09639