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)
-0.00600
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00011
-0.00024
2
0.00000
0.00011
-0.00024
3
0.00000
-0.00017
0.00002
4
0.00000
0.00017
0.00002
5
0.00000
-0.00070
-0.00001
6
0.00000
0.00070
-0.00001
7
0.00000
-0.00026
-0.00015
8
0.00000
0.00026
-0.00015
9
0.00000
0.00672
0.00983
10
0.00000
-0.00672
0.00983
11
0.00000
-0.00341
0.00304
12
0.00000
0.00341
0.00304
13
0.00000
0.01057
0.02125
14
0.00000
-0.01057
0.02125
15
0.00000
0.02998
-0.00091
16
0.00000
-0.02998
-0.00091
17
0.00000
-0.01669
0.00199
18
0.00000
0.01669
0.00199
19
0.00000
0.02157
-0.03409
20
0.00000
-0.02157
-0.03409
21
0.00000
-0.33667
-0.00015
22
0.00000
0.33667
-0.00015
23
0.00000
0.03351
-0.05216
24
0.00000
-0.03351
-0.05216
25
0.00000
-0.12742
-0.23022
26
0.00000
0.12742
-0.23022
27
0.00000
-0.06739
-0.11407
28
0.00000
0.06739
-0.11407
29
0.00000
0.20759
-0.00362
30
0.00000
-0.20759
-0.00362
31
0.00000
-0.23158
0.39153
32
0.00000
0.23158
0.39153