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)
-1.56300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.09827
-0.01890
2
0.00000
0.09827
0.01890
3
0.00000
0.00908
-0.03172
4
0.00000
0.00908
0.03172
5
0.00000
-0.00092
0.00616
6
0.00000
-0.00092
-0.00616
7
0.00000
-0.00763
-0.02933
8
0.00000
-0.00763
0.02933
9
0.00000
-0.00342
0.03169
10
0.00000
-0.00342
-0.03169
11
0.00000
-0.06497
0.09105
12
0.00000
-0.06497
-0.09105
13
0.00000
-0.05183
-0.09339
14
0.00000
-0.05183
0.09339
15
0.00000
0.03453
0.00549
16
0.00000
0.03453
-0.00549
17
0.00000
0.00902
0.00608
18
0.00000
0.00902
-0.00608
19
0.00000
-0.00748
0.01490
20
0.00000
-0.00748
-0.01490
21
0.00000
0.03284
-0.00351
22
0.00000
0.03284
0.00351
23
0.00000
-0.08987
0.08227
24
0.00000
-0.08987
-0.08227
25
0.00000
-0.08969
-0.08079
26
0.00000
-0.08969
0.08079
27
0.00000
-0.04004
0.05421
28
0.00000
-0.04004
-0.05421
29
0.00000
0.01021
0.02774
30
0.00000
0.01021
-0.02774
31
0.00000
0.00187
0.02073
32
0.00000
0.00187
-0.02073