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)
-0.30900
Eigenvectors
#
X
Y
Z
1
0.00000
0.01429
0.05676
2
0.00000
-0.01429
0.05676
3
0.00000
0.00721
-0.00548
4
0.00000
-0.00721
-0.00548
5
0.00000
0.01749
-0.01865
6
0.00000
-0.01749
-0.01865
7
0.00000
0.01422
-0.02773
8
0.00000
-0.01422
-0.02773
9
0.00000
0.00809
0.00341
10
0.00000
-0.00809
0.00341
11
0.00000
0.02079
0.02147
12
0.00000
-0.02079
0.02146
13
0.00000
-0.01554
-0.00625
14
0.00000
0.01554
-0.00625
15
0.00000
-0.01443
-0.02315
16
0.00000
0.01443
-0.02315
17
0.00000
-0.01626
-0.01963
18
0.00000
0.01626
-0.01963
19
0.00000
0.00497
0.02769
20
0.00000
-0.00497
0.02769
21
0.00000
-0.01514
-0.32351
22
0.00000
0.01514
-0.32350
23
0.00000
0.20686
0.13595
24
0.00000
-0.20685
0.13595
25
0.00000
-0.22384
0.10737
26
0.00000
0.22383
0.10737
27
0.00000
0.11173
-0.05609
28
0.00000
-0.11173
-0.05609
29
0.00000
-0.01805
-0.16281
30
0.00000
0.01805
-0.16281
31
0.00000
0.29050
0.19863
32
0.00000
-0.29050
0.19863