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)
-0.09300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.11863
0.00565
2
0.00000
-0.11863
-0.00565
3
0.00000
0.00188
0.01341
4
0.00000
0.00188
-0.01342
5
0.00000
0.00103
-0.00157
6
0.00000
0.00103
0.00157
7
0.00000
0.00812
0.01183
8
0.00000
0.00812
-0.01184
9
0.00000
0.00364
-0.01670
10
0.00000
0.00364
0.01670
11
0.00000
0.06025
-0.09291
12
0.00000
0.06025
0.09291
13
0.00000
0.05631
0.09077
14
0.00000
0.05631
-0.09077
15
0.00000
-0.02342
-0.00139
16
0.00000
-0.02342
0.00139
17
0.00000
-0.01008
-0.00095
18
0.00000
-0.01008
0.00095
19
0.00000
0.00705
-0.00816
20
0.00000
0.00705
0.00816
21
0.00000
-0.01853
0.00163
22
0.00000
-0.01853
-0.00163
23
0.00000
0.08569
-0.08108
24
0.00000
0.08569
0.08108
25
0.00000
0.08494
0.07981
26
0.00000
0.08494
-0.07981
27
0.00000
0.01416
-0.02272
28
0.00000
0.01416
0.02272
29
0.00000
-0.01109
-0.01277
30
0.00000
-0.01109
0.01277
31
0.00000
0.00972
-0.00662
32
0.00000
0.00972
0.00662