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)
0.42900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00006
0.00061
2
0.00000
-0.00006
0.00061
3
0.00000
0.00000
-0.00005
4
0.00000
0.00000
-0.00005
5
0.00000
-0.00155
0.00213
6
0.00000
0.00155
0.00213
7
0.00000
0.00004
0.00002
8
0.00000
-0.00004
0.00002
9
0.00000
-0.03149
-0.05129
10
0.00000
0.03149
-0.05129
11
0.00000
-0.00027
0.00039
12
0.00000
0.00027
0.00039
13
0.00000
-0.00284
-0.00526
14
0.00000
0.00284
-0.00526
15
0.00000
0.00210
0.00022
16
0.00000
-0.00210
0.00022
17
0.00000
0.00017
-0.00001
18
0.00000
-0.00017
-0.00001
19
0.00000
-0.00004
0.00012
20
0.00000
0.00004
0.00011
21
0.00000
-0.02351
-0.00049
22
0.00000
0.02351
-0.00049
23
0.00000
0.00283
-0.00435
24
0.00000
-0.00283
-0.00436
25
0.00000
0.03428
0.05896
26
0.00000
-0.03428
0.05896
27
0.00000
0.33326
0.57976
28
0.00000
-0.33325
0.57975
29
0.00000
-0.00190
0.00008
30
0.00000
0.00191
0.00008
31
0.00000
0.00076
-0.00134
32
0.00000
-0.00075
-0.00133