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)
0.05300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.06267
0.02534
2
0.00000
0.06267
-0.02534
3
0.00000
0.03087
-0.00902
4
0.00000
0.03087
0.00902
5
0.00000
-0.00209
0.07236
6
0.00000
-0.00209
-0.07236
7
0.00000
-0.00438
0.01064
8
0.00000
-0.00438
-0.01064
9
0.00000
-0.10702
0.04630
10
0.00000
-0.10702
-0.04630
11
0.00000
0.03098
-0.07560
12
0.00000
0.03098
0.07560
13
0.00000
0.01016
-0.02239
14
0.00000
0.01016
0.02239
15
0.00000
-0.01176
-0.06029
16
0.00000
-0.01176
0.06029
17
0.00000
-0.00597
0.01351
18
0.00000
-0.00597
-0.01351
19
0.00000
0.00313
0.01143
20
0.00000
0.00313
-0.01143
21
0.00000
-0.01098
-0.03013
22
0.00000
-0.01098
0.03013
23
0.00000
0.02789
-0.07578
24
0.00000
0.02789
0.07578
25
0.00000
0.09075
-0.06728
26
0.00000
0.09075
0.06728
27
0.00000
-0.19325
0.09621
28
0.00000
-0.19325
-0.09621
29
0.00000
-0.00754
0.01010
30
0.00000
-0.00754
-0.01010
31
0.00000
0.01478
0.01821
32
0.00000
0.01478
-0.01821