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)
0.14800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00558
0.06113
2
0.00000
-0.00558
-0.06113
3
0.00000
0.01941
-0.00640
4
0.00000
0.01941
0.00640
5
0.00000
-0.05159
0.05367
6
0.00000
-0.05159
-0.05367
7
0.00000
-0.01386
-0.05143
8
0.00000
-0.01386
0.05143
9
0.00000
0.00209
-0.02336
10
0.00000
0.00209
0.02336
11
0.00000
0.01365
0.02201
12
0.00000
0.01365
-0.02201
13
0.00000
-0.00682
0.00670
14
0.00000
-0.00682
-0.00670
15
0.00000
0.01050
-0.02612
16
0.00000
0.01050
0.02612
17
0.00000
-0.00562
-0.03014
18
0.00000
-0.00562
0.03014
19
0.00000
-0.00235
0.02641
20
0.00000
-0.00235
-0.02641
21
0.00000
0.01282
-0.39332
22
0.00000
0.01282
0.39332
23
0.00000
0.18539
0.12692
24
0.00000
0.18539
-0.12692
25
0.00000
-0.05215
0.03549
26
0.00000
-0.05215
-0.03549
27
0.00000
0.20099
-0.14298
28
0.00000
0.20099
0.14298
29
0.00000
-0.00635
-0.02616
30
0.00000
-0.00635
0.02617
31
0.00000
0.13761
0.10988
32
0.00000
0.13761
-0.10988