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)
-0.83100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.10810
0.00000
0.00000
2
-0.10810
0.00000
0.00000
3
0.07910
0.00000
0.00000
4
0.07910
0.00000
0.00000
5
0.08469
0.00000
0.00000
6
0.08469
0.00000
0.00000
7
-0.00956
0.00000
0.00000
8
-0.00956
0.00000
0.00000
9
-0.00529
0.00000
0.00000
10
-0.00529
0.00000
0.00000
11
0.00031
0.00000
0.00000
12
0.00031
0.00000
0.00000
13
-0.00924
0.00000
0.00000
14
-0.00924
0.00000
0.00000
15
0.03936
0.00000
0.00000
16
0.03936
0.00000
0.00000
17
-0.01559
0.00000
0.00000
18
-0.01559
0.00000
0.00000
19
-0.00152
0.00000
0.00000
20
-0.00152
0.00000
0.00000
21
-0.15827
0.00000
0.00000
22
-0.15827
0.00000
0.00000
23
-0.26256
0.00000
0.00000
24
-0.26256
0.00000
0.00000
25
-0.25258
0.00000
0.00000
26
-0.25258
0.00000
0.00000
27
-0.09099
0.00000
0.00000
28
-0.09099
0.00000
0.00000
29
0.06524
0.00000
0.00000
30
0.06524
0.00000
0.00000
31
0.05433
0.00000
0.00000
32
0.05433
0.00000
0.00000