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)
2.85400
Eigenvectors
#
X
Y
Z
1
0.00000
0.03891
-0.04691
2
0.00000
-0.03891
-0.04691
3
0.00000
0.01759
0.08716
4
0.00000
-0.01759
0.08716
5
0.00000
0.00811
0.00264
6
0.00000
-0.00811
0.00264
7
0.00000
-0.12289
-0.02776
8
0.00000
0.12288
-0.02776
9
0.00000
0.01681
0.00021
10
0.00000
-0.01681
0.00021
11
0.00000
0.04534
0.02956
12
0.00000
-0.04535
0.02956
13
0.00000
-0.02280
0.01040
14
0.00000
0.02280
0.01041
15
0.00000
-0.02103
-0.01963
16
0.00000
0.02103
-0.01964
17
0.00000
0.01584
-0.04231
18
0.00000
-0.01584
-0.04231
19
0.00000
0.01523
0.02778
20
0.00000
-0.01523
0.02778
21
0.00000
-0.02380
-0.16457
22
0.00000
0.02380
-0.16457
23
0.00000
-0.09127
-0.05229
24
0.00000
0.09130
-0.05230
25
0.00000
0.02699
-0.01794
26
0.00000
-0.02702
-0.01795
27
0.00000
-0.05139
0.04148
28
0.00000
0.05138
0.04148
29
0.00000
0.01367
-0.13287
30
0.00000
-0.01367
-0.13285
31
0.00000
0.09240
0.07461
32
0.00000
-0.09239
0.07460