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)
-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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.36400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00018
0.00020
2
0.00000
0.00018
0.00020
3
0.00000
-0.00066
0.00007
4
0.00000
0.00066
0.00007
5
0.00000
0.00020
-0.00002
6
0.00000
-0.00020
-0.00002
7
0.00000
0.00032
-0.00047
8
0.00000
-0.00032
-0.00047
9
0.00000
-0.00025
-0.00031
10
0.00000
0.00025
-0.00031
11
0.00000
0.01194
-0.01872
12
0.00000
-0.01194
-0.01872
13
0.00000
-0.00173
-0.00416
14
0.00000
0.00173
-0.00416
15
0.00000
-0.01325
0.00090
16
0.00000
0.01325
0.00090
17
0.00000
-0.02845
0.00262
18
0.00000
0.02845
0.00262
19
0.00000
0.02304
-0.03783
20
0.00000
-0.02304
-0.03783
21
0.00000
0.15260
-0.00035
22
0.00000
-0.15258
-0.00035
23
0.00000
-0.13339
0.21466
24
0.00000
0.13338
0.21464
25
0.00000
0.02314
0.04292
26
0.00000
-0.02313
0.04291
27
0.00000
0.00211
0.00389
28
0.00000
-0.00211
0.00389
29
0.00000
0.33657
-0.00982
30
0.00000
-0.33655
-0.00982
31
0.00000
-0.24883
0.43586
32
0.00000
0.24884
0.43587