Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+1
Electronic States
Energy
(eV)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.34500
Diff mu Y
(Debye)
-0.04200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06028
0.00291
0.00000
2
-0.06028
0.00291
0.00000
3
-0.02939
-0.00170
0.00000
4
-0.06177
0.00103
0.00000
5
-0.06177
0.00103
0.00000
6
-0.02939
-0.00170
0.00000
7
-0.02399
-0.02546
0.00000
8
-0.04371
-0.02083
0.00000
9
-0.04371
-0.02083
0.00000
10
-0.02399
-0.02546
0.00000
11
0.01160
0.03009
0.00000
12
-0.02709
0.03904
0.00000
13
-0.02709
0.03904
0.00000
14
0.01160
0.03009
0.00000
15
0.00412
0.03921
0.00000
16
0.00412
0.03921
0.00000
17
0.07596
0.01666
0.00000
18
0.07596
0.01666
0.00000
19
0.08991
-0.02535
0.00000
20
0.08991
-0.02535
0.00000
21
0.04563
-0.05409
0.00000
22
0.04563
-0.05409
0.00000
23
0.01269
0.04791
0.00000
24
0.01269
0.04791
0.00000
25
0.11076
0.04791
0.00000
26
0.11076
0.04791
0.00000
27
0.12017
-0.03554
0.00000
28
0.12017
-0.03554
0.00000
29
-0.03595
0.08105
0.00000
30
-0.03595
0.08105
0.00000
31
-0.03999
-0.04175
0.00000
32
-0.03999
-0.04175
0.00000
33
0.05872
-0.11759
0.00000
34
0.05872
-0.11759
0.00000