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)
-0.31900
Eigenvectors
#
X
Y
Z
1
0.00000
0.00016
0.00017
2
0.00000
-0.00016
0.00017
3
0.00000
-0.00011
0.00016
4
0.00000
0.00011
0.00016
5
0.00000
0.00142
-0.00080
6
0.00000
-0.00142
-0.00080
7
0.00000
0.00006
0.00013
8
0.00000
-0.00006
0.00013
9
0.00000
0.00387
0.00535
10
0.00000
-0.00387
0.00535
11
0.00000
-0.00410
0.00530
12
0.00000
0.00410
0.00530
13
0.00000
-0.02276
-0.03922
14
0.00000
0.02276
-0.03922
15
0.00000
0.03378
0.00139
16
0.00000
-0.03378
0.00139
17
0.00000
0.00209
-0.00005
18
0.00000
-0.00209
-0.00005
19
0.00000
-0.00055
0.00084
20
0.00000
0.00055
0.00084
21
0.00000
-0.40292
-0.00327
22
0.00000
0.40295
-0.00327
23
0.00000
0.04547
-0.07184
24
0.00000
-0.04547
-0.07185
25
0.00000
0.25921
0.46303
26
0.00000
-0.25924
0.46307
27
0.00000
-0.03754
-0.05973
28
0.00000
0.03754
-0.05973
29
0.00000
-0.02338
0.00051
30
0.00000
0.02338
0.00051
31
0.00000
0.00608
-0.01025
32
0.00000
-0.00608
-0.01025