Charge: -1
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q-1
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
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)
0.02900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00028
0.00016
2
0.00000
0.00028
0.00016
3
0.00000
-0.00123
-0.00004
4
0.00000
0.00123
-0.00004
5
0.00000
-0.00055
0.00019
6
0.00000
0.00055
0.00019
7
0.00000
0.00040
-0.00114
8
0.00000
-0.00040
-0.00114
9
0.00000
0.00016
0.00017
10
0.00000
-0.00016
0.00017
11
0.00000
0.01452
-0.02628
12
0.00000
-0.01452
-0.02628
13
0.00000
0.00238
0.00757
14
0.00000
-0.00238
0.00757
15
0.00000
0.03591
0.00064
16
0.00000
-0.03591
0.00064
17
0.00000
-0.03002
-0.00054
18
0.00000
0.03002
-0.00054
19
0.00000
-0.01156
0.02136
20
0.00000
0.01156
0.02136
21
0.00000
-0.39515
-0.00188
22
0.00000
0.39514
-0.00188
23
0.00000
-0.17366
0.28373
24
0.00000
0.17366
0.28372
25
0.00000
-0.03653
-0.06974
26
0.00000
0.03653
-0.06974
27
0.00000
-0.00133
-0.00263
28
0.00000
0.00133
-0.00263
29
0.00000
0.33212
-0.00735
30
0.00000
-0.33211
-0.00735
31
0.00000
0.12869
-0.22705
32
0.00000
-0.12868
-0.22704