Charge: -1
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-1
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)
0.31100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06803
0.00000
0.00000
2
-0.06803
0.00000
0.00000
3
-0.00416
0.00000
0.00000
4
-0.00416
0.00000
0.00000
5
-0.04179
0.00000
0.00000
6
-0.04179
0.00000
0.00000
7
0.00076
0.00000
0.00000
8
0.00076
0.00000
0.00000
9
0.10278
0.00000
0.00000
10
0.10278
0.00000
0.00000
11
0.08587
0.00000
0.00000
12
0.08587
0.00000
0.00000
13
-0.08870
0.00000
0.00000
14
-0.08870
0.00000
0.00000
15
-0.00629
0.00000
0.00000
16
-0.00629
0.00000
0.00000
17
-0.00144
0.00000
0.00000
18
-0.00144
0.00000
0.00000
19
-0.00028
0.00000
0.00000
20
-0.00028
0.00000
0.00000
21
0.01195
0.00000
0.00000
22
0.01195
0.00000
0.00000
23
0.22357
0.00000
0.00000
24
0.22357
0.00000
0.00000
25
-0.15056
0.00000
0.00000
26
-0.15056
0.00000
0.00000
27
0.19724
0.00000
0.00000
28
0.19724
0.00000
0.00000
29
-0.02288
0.00000
0.00000
30
-0.02288
0.00000
0.00000
31
-0.00610
0.00000
0.00000
32
-0.00610
0.00000
0.00000