Charge: 0
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
Electronic States
Energy
(eV)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.07600
Diff mu Y
(Debye)
0.35700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00002
0.00000
0.00000
2
-0.00003
0.00028
0.00000
3
0.00000
-0.00001
0.00000
4
0.00015
0.00119
0.00000
5
0.00003
0.00001
0.00000
6
-0.00061
0.00109
0.00000
7
0.00013
0.00014
0.00000
8
0.00022
-0.00016
0.00000
9
0.00005
0.00000
0.00000
10
-0.00033
-0.00042
0.00000
11
-0.00002
0.00003
0.00000
12
0.01601
-0.00243
0.00000
13
0.00003
-0.00001
0.00000
14
-0.01706
-0.01026
0.00000
15
0.00002
0.00002
0.00000
16
0.01690
-0.08019
0.00000
17
0.00007
-0.00004
0.00000
18
-0.00013
-0.00004
0.00000
19
0.00014
-0.00046
0.00000
20
0.00014
-0.00004
0.00000
21
-0.00183
-0.00160
0.00000
22
-0.00309
0.00062
0.00000
23
-0.00025
0.00000
0.00000
24
0.00508
0.00376
0.00000
25
-0.15736
0.05077
0.00000
26
-0.00035
0.00010
0.00000
27
0.15549
0.13107
0.00000
28
-0.18181
0.89585
0.00000
29
-0.00126
0.00527
0.00000
30
0.00097
0.00090
0.00000
31
-0.00094
0.00022
0.00000
32
-0.00154
0.00041
0.00000