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)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
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)
0.57200
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00002
-0.00014
2
0.00000
0.00002
-0.00014
3
0.00000
0.00040
0.00015
4
0.00000
-0.00040
0.00015
5
0.00000
0.00090
-0.00077
6
0.00000
-0.00090
-0.00077
7
0.00000
-0.00010
-0.00003
8
0.00000
0.00010
-0.00003
9
0.00000
0.00282
0.00434
10
0.00000
-0.00282
0.00434
11
0.00000
-0.00659
0.00886
12
0.00000
0.00659
0.00886
13
0.00000
-0.01293
-0.02163
14
0.00000
0.01293
-0.02163
15
0.00000
0.04871
0.00017
16
0.00000
-0.04871
0.00017
17
0.00000
0.00164
-0.00020
18
0.00000
-0.00164
-0.00020
19
0.00000
-0.00160
0.00251
20
0.00000
0.00160
0.00251
21
0.00000
-0.58058
-0.00279
22
0.00000
0.58058
-0.00279
23
0.00000
0.07511
-0.11896
24
0.00000
-0.07511
-0.11896
25
0.00000
0.15277
0.27236
26
0.00000
-0.15277
0.27236
27
0.00000
-0.02698
-0.04385
28
0.00000
0.02698
-0.04385
29
0.00000
-0.01891
0.00040
30
0.00000
0.01891
0.00040
31
0.00000
0.01597
-0.02691
32
0.00000
-0.01597
-0.02691