Charge: 2
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+2
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)
0.80000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02436
-0.02495
2
0.00000
0.02436
-0.02495
3
0.00000
-0.01980
0.00837
4
0.00000
0.01980
0.00837
5
0.00000
0.04329
0.01483
6
0.00000
-0.04329
0.01483
7
0.00000
0.03838
0.01879
8
0.00000
-0.03838
0.01879
9
0.00000
-0.03458
0.00431
10
0.00000
0.03459
0.00431
11
0.00000
0.01870
0.02593
12
0.00000
-0.01870
0.02593
13
0.00000
-0.02292
0.02738
14
0.00000
0.02292
0.02738
15
0.00000
0.00018
-0.05805
16
0.00000
-0.00017
-0.05804
17
0.00000
-0.03598
-0.10905
18
0.00000
0.03598
-0.10905
19
0.00000
0.03655
0.05799
20
0.00000
-0.03655
0.05799
21
0.00000
-0.00030
0.09698
22
0.00000
0.00030
0.09699
23
0.00000
-0.04427
-0.01022
24
0.00000
0.04427
-0.01022
25
0.00000
-0.00727
0.02298
26
0.00000
0.00727
0.02298
27
0.00000
0.09796
-0.07307
28
0.00000
-0.09796
-0.07307
29
0.00000
-0.03044
0.32251
30
0.00000
0.03044
0.32252
31
0.00000
0.00669
0.05114
32
0.00000
-0.00670
0.05114