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)
0.16900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00193
0.00000
0.00000
2
-0.00193
0.00000
0.00000
3
-0.00648
0.00000
0.00000
4
-0.00648
0.00000
0.00000
5
-0.01182
0.00000
0.00000
6
-0.01182
0.00000
0.00000
7
0.00129
0.00000
0.00000
8
0.00129
0.00000
0.00000
9
0.00657
0.00000
0.00000
10
0.00657
0.00000
0.00000
11
0.04848
0.00000
0.00000
12
0.04848
0.00000
0.00000
13
0.06070
0.00000
0.00000
14
0.06070
0.00000
0.00000
15
-0.08729
0.00000
0.00000
16
-0.08729
0.00000
0.00000
17
0.00640
0.00000
0.00000
18
0.00640
0.00000
0.00000
19
-0.00624
0.00000
0.00000
20
-0.00624
0.00000
0.00000
21
0.43841
0.00000
0.00000
22
0.43841
0.00000
0.00000
23
-0.22309
0.00000
0.00000
24
-0.22309
0.00000
0.00000
25
-0.28830
0.00000
0.00000
26
-0.28830
0.00000
0.00000
27
-0.03680
0.00000
0.00000
28
-0.03680
0.00000
0.00000
29
-0.04376
0.00000
0.00000
30
-0.04376
0.00000
0.00000
31
0.03840
0.00000
0.00000
32
0.03841
0.00000
0.00000