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)
0.16000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06008
-0.02348
2
0.00000
-0.06008
0.02348
3
0.00000
-0.02853
0.01155
4
0.00000
-0.02853
-0.01155
5
0.00000
0.00013
-0.07173
6
0.00000
0.00013
0.07173
7
0.00000
0.00219
-0.00280
8
0.00000
0.00219
0.00280
9
0.00000
0.11044
-0.04864
10
0.00000
0.11044
0.04864
11
0.00000
-0.02471
0.07641
12
0.00000
-0.02470
-0.07641
13
0.00000
-0.01389
0.02079
14
0.00000
-0.01389
-0.02078
15
0.00000
0.01275
0.05994
16
0.00000
0.01276
-0.05994
17
0.00000
0.00066
-0.00419
18
0.00000
0.00066
0.00418
19
0.00000
-0.00589
-0.00262
20
0.00000
-0.00589
0.00262
21
0.00000
0.01186
0.04655
22
0.00000
0.01186
-0.04655
23
0.00000
-0.02345
0.07620
24
0.00000
-0.02345
-0.07620
25
0.00000
-0.09413
0.06413
26
0.00000
-0.09413
-0.06413
27
0.00000
0.19736
-0.10043
28
0.00000
0.19736
0.10043
29
0.00000
0.00172
-0.00217
30
0.00000
0.00172
0.00217
31
0.00000
-0.01095
-0.00560
32
0.00000
-0.01095
0.00560