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)
-0.00700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.02869
0.04010
2
0.00000
0.02869
-0.04010
3
0.00000
-0.01959
0.03701
4
0.00000
-0.01959
-0.03701
5
0.00000
0.05035
0.05292
6
0.00000
0.05035
-0.05292
7
0.00000
-0.07611
0.04300
8
0.00000
-0.07611
-0.04300
9
0.00000
0.03139
0.03700
10
0.00000
0.03139
-0.03700
11
0.00000
-0.01338
0.03706
12
0.00000
-0.01338
-0.03706
13
0.00000
0.05369
0.05175
14
0.00000
0.05369
-0.05175
15
0.00000
0.01662
0.02747
16
0.00000
0.01662
-0.02747
17
0.00000
-0.06208
0.07086
18
0.00000
-0.06208
-0.07086
19
0.00000
-0.01330
0.04542
20
0.00000
-0.01330
-0.04542
21
0.00000
0.01717
-0.01116
22
0.00000
0.01717
0.01116
23
0.00000
-0.01355
0.03677
24
0.00000
-0.01354
-0.03677
25
0.00000
0.06976
0.04306
26
0.00000
0.06976
-0.04306
27
0.00000
-0.01047
0.06173
28
0.00000
-0.01047
-0.06173
29
0.00000
-0.06241
0.09897
30
0.00000
-0.06241
-0.09897
31
0.00000
0.04380
0.07895
32
0.00000
0.04380
-0.07895