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)
-0.07300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01620
-0.00842
2
0.00000
0.01620
-0.00842
3
0.00000
-0.02387
0.01952
4
0.00000
0.02387
0.01951
5
0.00000
-0.03335
-0.02185
6
0.00000
0.03335
-0.02185
7
0.00000
-0.00352
0.03102
8
0.00000
0.00352
0.03102
9
0.00000
-0.00356
0.00771
10
0.00000
0.00356
0.00771
11
0.00000
-0.00520
-0.08999
12
0.00000
0.00520
-0.08999
13
0.00000
0.00384
0.09594
14
0.00000
-0.00384
0.09594
15
0.00000
0.05599
-0.00821
16
0.00000
-0.05599
-0.00821
17
0.00000
0.02284
-0.00075
18
0.00000
-0.02284
-0.00075
19
0.00000
0.02388
-0.01382
20
0.00000
-0.02388
-0.01382
21
0.00000
0.06469
-0.07612
22
0.00000
-0.06469
-0.07612
23
0.00000
-0.16848
-0.19524
24
0.00000
0.16848
-0.19524
25
0.00000
-0.21763
0.22712
26
0.00000
0.21763
0.22712
27
0.00000
0.07704
-0.04003
28
0.00000
-0.07704
-0.04003
29
0.00000
0.02251
-0.05136
30
0.00000
-0.02251
-0.05136
31
0.00000
0.05818
0.00279
32
0.00000
-0.05818
0.00280