Charge: 0
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
Electronic States
Energy
(eV)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.02500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.03008
0.00593
2
0.00000
0.03008
-0.00593
3
0.00000
-0.04099
0.05783
4
0.00000
-0.04099
-0.05783
5
0.00000
-0.01006
-0.05206
6
0.00000
-0.01006
0.05206
7
0.00000
0.02269
-0.08499
8
0.00000
0.02268
0.08499
9
0.00000
-0.01009
0.03226
10
0.00000
-0.01008
-0.03226
11
0.00000
0.01195
-0.01170
12
0.00000
0.01195
0.01170
13
0.00000
-0.00760
0.01781
14
0.00000
-0.00760
-0.01781
15
0.00000
0.00369
-0.00565
16
0.00000
0.00369
0.00565
17
0.00000
-0.04836
0.01606
18
0.00000
-0.04836
-0.01606
19
0.00000
0.05945
0.06611
20
0.00000
0.05945
-0.06611
21
0.00000
0.00623
-0.01100
22
0.00000
0.00622
0.01101
23
0.00000
0.10186
0.04031
24
0.00000
0.10186
-0.04030
25
0.00000
0.07874
-0.02978
26
0.00000
0.07874
0.02978
27
0.00000
0.04752
-0.00175
28
0.00000
0.04752
0.00175
29
0.00000
-0.05963
-0.12825
30
0.00000
-0.05963
0.12826
31
0.00000
-0.30284
-0.13886
32
0.00000
-0.30284
0.13887