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
0.00809
-0.05582
2
0.00000
0.00809
0.05582
3
0.00000
0.03821
0.02953
4
0.00000
0.03821
-0.02953
5
0.00000
-0.03915
-0.02030
6
0.00000
-0.03916
0.02029
7
0.00000
-0.07764
0.04514
8
0.00000
-0.07764
-0.04514
9
0.00000
0.00466
0.02382
10
0.00000
0.00466
-0.02382
11
0.00000
0.02429
0.03012
12
0.00000
0.02429
-0.03012
13
0.00000
-0.00057
0.02030
14
0.00000
-0.00057
-0.02030
15
0.00000
-0.01291
-0.00348
16
0.00000
-0.01291
0.00348
17
0.00000
0.03040
-0.01798
18
0.00000
0.03040
0.01798
19
0.00000
0.01364
0.00323
20
0.00000
0.01364
-0.00324
21
0.00000
-0.01332
-0.14306
22
0.00000
-0.01332
0.14306
23
0.00000
-0.14140
-0.07051
24
0.00000
-0.14140
0.07051
25
0.00000
0.20012
-0.09014
26
0.00000
0.20012
0.09014
27
0.00000
0.02918
0.00854
28
0.00000
0.02918
-0.00854
29
0.00000
0.03073
-0.40724
30
0.00000
0.03073
0.40725
31
0.00000
0.02541
0.00833
32
0.00000
0.02541
-0.00833