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)
0.57300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03614
-0.00448
2
0.00000
-0.03614
0.00448
3
0.00000
-0.04698
-0.00364
4
0.00000
-0.04698
0.00364
5
0.00000
-0.00681
-0.02759
6
0.00000
-0.00681
0.02759
7
0.00000
-0.03124
0.01215
8
0.00000
-0.03124
-0.01215
9
0.00000
0.02217
-0.01144
10
0.00000
0.02217
0.01144
11
0.00000
-0.04259
-0.04448
12
0.00000
-0.04259
0.04448
13
0.00000
-0.00908
-0.06056
14
0.00000
-0.00909
0.06056
15
0.00000
-0.02012
-0.07183
16
0.00000
-0.02012
0.07183
17
0.00000
0.04351
0.04687
18
0.00000
0.04351
-0.04687
19
0.00000
0.11401
0.01973
20
0.00000
0.11401
-0.01972
21
0.00000
-0.02033
-0.08741
22
0.00000
-0.02033
0.08741
23
0.00000
-0.06365
-0.05462
24
0.00000
-0.06365
0.05462
25
0.00000
0.00807
-0.06981
26
0.00000
0.00806
0.06980
27
0.00000
0.04058
-0.02190
28
0.00000
0.04058
0.02190
29
0.00000
0.04326
0.10523
30
0.00000
0.04326
-0.10523
31
0.00000
0.15028
0.04065
32
0.00000
0.15028
-0.04064