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)
-1.47900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00006
0.00049
2
0.00000
-0.00006
0.00049
3
0.00000
-0.00058
-0.00017
4
0.00000
0.00058
-0.00017
5
0.00000
0.00004
0.00049
6
0.00000
-0.00004
0.00049
7
0.00000
-0.00012
-0.00043
8
0.00000
0.00012
-0.00043
9
0.00000
-0.01717
-0.02515
10
0.00000
0.01717
-0.02515
11
0.00000
0.01015
-0.01449
12
0.00000
-0.01015
-0.01449
13
0.00000
-0.01099
-0.02117
14
0.00000
0.01099
-0.02117
15
0.00000
-0.01988
0.00124
16
0.00000
0.01988
0.00124
17
0.00000
-0.02011
0.00147
18
0.00000
0.02011
0.00147
19
0.00000
0.01615
-0.02528
20
0.00000
-0.01615
-0.02528
21
0.00000
0.22633
-0.00088
22
0.00000
-0.22632
-0.00088
23
0.00000
-0.11122
0.17589
24
0.00000
0.11122
0.17589
25
0.00000
0.13088
0.23373
26
0.00000
-0.13088
0.23373
27
0.00000
0.17257
0.29019
28
0.00000
-0.17257
0.29019
29
0.00000
0.24038
-0.00389
30
0.00000
-0.24037
-0.00389
31
0.00000
-0.17364
0.29335
32
0.00000
0.17365
0.29335