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)
-0.20200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00001
-0.00014
2
0.00000
0.00001
0.00014
3
0.00000
0.00029
0.00007
4
0.00000
0.00029
-0.00007
5
0.00000
-0.00019
0.00009
6
0.00000
-0.00019
-0.00009
7
0.00000
0.00005
0.00008
8
0.00000
0.00005
-0.00008
9
0.00000
0.00063
0.00111
10
0.00000
0.00063
-0.00111
11
0.00000
-0.00219
0.00352
12
0.00000
-0.00219
-0.00352
13
0.00000
0.00331
0.00579
14
0.00000
0.00331
-0.00579
15
0.00000
-0.00181
-0.00031
16
0.00000
-0.00181
0.00031
17
0.00000
0.01424
-0.00160
18
0.00000
0.01424
0.00160
19
0.00000
-0.02648
0.04787
20
0.00000
-0.02648
-0.04787
21
0.00000
0.02123
0.00054
22
0.00000
0.02123
-0.00054
23
0.00000
0.02437
-0.03812
24
0.00000
0.02437
0.03812
25
0.00000
-0.03767
-0.06715
26
0.00000
-0.03767
0.06715
27
0.00000
-0.00741
-0.01312
28
0.00000
-0.00741
0.01312
29
0.00000
-0.18042
0.00279
30
0.00000
-0.18042
-0.00279
31
0.00000
0.32441
-0.55748
32
0.00000
0.32441
0.55748