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)
0.11900
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00316
0.05326
2
0.00000
0.00316
0.05326
3
0.00000
-0.05027
-0.04000
4
0.00000
0.05027
-0.04000
5
0.00000
0.00329
0.02959
6
0.00000
-0.00329
0.02959
7
0.00000
-0.05863
-0.05726
8
0.00000
0.05863
-0.05726
9
0.00000
-0.00941
-0.02485
10
0.00000
0.00941
-0.02485
11
0.00000
0.01629
-0.02828
12
0.00000
-0.01629
-0.02828
13
0.00000
-0.02343
-0.01945
14
0.00000
0.02343
-0.01945
15
0.00000
0.03870
0.01974
16
0.00000
-0.03870
0.01974
17
0.00000
0.00776
0.04176
18
0.00000
-0.00776
0.04176
19
0.00000
0.06670
-0.02144
20
0.00000
-0.06670
-0.02144
21
0.00000
0.04056
0.15671
22
0.00000
-0.04056
0.15671
23
0.00000
0.08989
0.01365
24
0.00000
-0.08989
0.01365
25
0.00000
-0.06307
0.00278
26
0.00000
0.06307
0.00278
27
0.00000
-0.09092
0.02071
28
0.00000
0.09092
0.02071
29
0.00000
0.00816
0.31391
30
0.00000
-0.00816
0.31391
31
0.00000
0.19921
0.05092
32
0.00000
-0.19921
0.05092