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)
0.28200
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00786
0.01252
2
0.00000
0.00786
0.01252
3
0.00000
-0.00010
0.03989
4
0.00000
0.00010
0.03989
5
0.00000
-0.01446
-0.01835
6
0.00000
0.01446
-0.01835
7
0.00000
-0.02695
0.07544
8
0.00000
0.02695
0.07544
9
0.00000
-0.00369
-0.03478
10
0.00000
0.00369
-0.03478
11
0.00000
-0.01213
0.00600
12
0.00000
0.01213
0.00600
13
0.00000
-0.02437
-0.01799
14
0.00000
0.02437
-0.01799
15
0.00000
-0.00840
-0.00215
16
0.00000
0.00840
-0.00215
17
0.00000
-0.14536
0.01686
18
0.00000
0.14536
0.01686
19
0.00000
-0.00952
-0.07587
20
0.00000
0.00952
-0.07587
21
0.00000
-0.00932
0.00995
22
0.00000
0.00932
0.00995
23
0.00000
-0.04259
-0.01288
24
0.00000
0.04259
-0.01288
25
0.00000
-0.04003
-0.01022
26
0.00000
0.04003
-0.01022
27
0.00000
-0.00479
-0.03567
28
0.00000
0.00479
-0.03567
29
0.00000
-0.14441
0.03863
30
0.00000
0.14441
0.03863
31
0.00000
0.10440
-0.00864
32
0.00000
-0.10440
-0.00864