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)
-0.77600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00547
-0.00563
2
0.00000
-0.00548
-0.00564
3
0.00000
0.00051
-0.03284
4
0.00000
-0.00051
-0.03285
5
0.00000
0.01329
0.01908
6
0.00000
-0.01329
0.01908
7
0.00000
0.04117
-0.06974
8
0.00000
-0.04116
-0.06974
9
0.00000
0.00247
0.03103
10
0.00000
-0.00248
0.03102
11
0.00000
0.00858
-0.00453
12
0.00000
-0.00858
-0.00453
13
0.00000
0.02429
0.01413
14
0.00000
-0.02429
0.01414
15
0.00000
0.00902
0.00076
16
0.00000
-0.00901
0.00076
17
0.00000
0.14991
-0.02233
18
0.00000
-0.14991
-0.02233
19
0.00000
0.01317
0.07102
20
0.00000
-0.01317
0.07102
21
0.00000
0.00972
-0.01181
22
0.00000
-0.00971
-0.01180
23
0.00000
0.03120
0.00997
24
0.00000
-0.03121
0.00998
25
0.00000
0.03965
0.00668
26
0.00000
-0.03966
0.00669
27
0.00000
0.00198
0.03263
28
0.00000
-0.00199
0.03263
29
0.00000
0.14998
-0.05734
30
0.00000
-0.14998
-0.05733
31
0.00000
-0.09740
0.00864
32
0.00000
0.09740
0.00863