Charge: 0
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.18500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01040
0.00000
-0.08348
2
-0.01040
0.00000
0.08348
3
0.03890
0.00000
-0.07682
4
-0.04997
0.00000
0.01360
5
0.03890
0.00000
0.07682
6
-0.04997
0.00000
-0.01360
7
0.01882
0.00000
-0.01762
8
-0.04996
0.00000
-0.06458
9
0.01882
0.00000
0.01762
10
-0.04996
0.00000
0.06458
11
-0.02550
0.00000
0.03138
12
0.03719
0.00000
-0.02654
13
-0.02550
0.00000
-0.03138
14
0.03719
0.00000
0.02654
15
-0.00533
0.00000
0.00232
16
0.04349
0.00000
0.01710
17
-0.00533
0.00000
-0.00232
18
0.04349
0.00000
-0.01710
19
-0.01249
0.00000
0.07112
20
-0.01249
0.00000
-0.07112
21
0.00227
0.00000
-0.01672
22
0.00227
0.00000
0.01672
23
-0.00690
0.00000
-0.07666
24
0.04589
0.00000
0.10721
25
-0.00690
0.00000
0.07666
26
0.04589
0.00000
-0.10721
27
-0.00852
0.00000
0.04346
28
0.10558
0.00000
0.00672
29
-0.00852
0.00000
-0.04346
30
0.10558
0.00000
-0.00672
31
-0.07404
0.00000
-0.05974
32
-0.07404
0.00000
0.05974
33
0.09254
0.00000
0.13363
34
0.09255
0.00000
-0.13363