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)
-0.01500
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00015
0.00015
2
0.00000
0.00015
0.00015
3
0.00000
-0.00030
0.00022
4
0.00000
0.00030
0.00022
5
0.00000
0.00064
-0.00005
6
0.00000
-0.00064
-0.00005
7
0.00000
0.00013
-0.00057
8
0.00000
-0.00013
-0.00057
9
0.00000
-0.00026
-0.00048
10
0.00000
0.00026
-0.00048
11
0.00000
0.01438
-0.02031
12
0.00000
-0.01438
-0.02031
13
0.00000
-0.00396
-0.01081
14
0.00000
0.00396
-0.01081
15
0.00000
-0.04312
0.00131
16
0.00000
0.04312
0.00131
17
0.00000
-0.00540
-0.00137
18
0.00000
0.00540
-0.00137
19
0.00000
-0.01534
0.02645
20
0.00000
0.01534
0.02645
21
0.00000
0.48643
0.00041
22
0.00000
-0.48641
0.00041
23
0.00000
-0.15452
0.24786
24
0.00000
0.15451
0.24785
25
0.00000
0.05666
0.10646
26
0.00000
-0.05665
0.10645
27
0.00000
0.00300
0.00569
28
0.00000
-0.00300
0.00569
29
0.00000
0.04843
-0.00098
30
0.00000
-0.04843
-0.00098
31
0.00000
0.16748
-0.29427
32
0.00000
-0.16747
-0.29426