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)
0.00000
Diff mu Z
(Debye)
-0.08100
Eigenvectors
#
X
Y
Z
1
0.00000
0.00518
0.01306
2
0.00000
-0.00518
0.01306
3
0.00000
-0.00373
0.02045
4
0.00000
0.00374
0.02045
5
0.00000
0.03777
-0.01565
6
0.00000
-0.03777
-0.01565
7
0.00000
-0.00655
0.05686
8
0.00000
0.00655
0.05686
9
0.00000
0.00523
-0.03008
10
0.00000
-0.00523
-0.03008
11
0.00000
-0.00428
-0.05204
12
0.00000
0.00428
-0.05204
13
0.00000
0.04827
-0.06598
14
0.00000
-0.04827
-0.06598
15
0.00000
0.03134
-0.08305
16
0.00000
-0.03134
-0.08305
17
0.00000
0.00284
0.07669
18
0.00000
-0.00284
0.07669
19
0.00000
-0.00075
0.08996
20
0.00000
0.00075
0.08997
21
0.00000
0.03142
-0.10699
22
0.00000
-0.03142
-0.10699
23
0.00000
-0.04489
-0.07511
24
0.00000
0.04489
-0.07512
25
0.00000
0.07810
-0.08227
26
0.00000
-0.07810
-0.08227
27
0.00000
-0.01736
-0.01602
28
0.00000
0.01736
-0.01602
29
0.00000
0.00000
0.07158
30
0.00000
-0.00001
0.07158
31
0.00000
-0.00682
0.08702
32
0.00000
0.00682
0.08702