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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 c
(cm-1)
0.00590
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02676
-0.04909
0.00000
2
-0.02676
0.04909
0.00000
3
0.00417
0.08091
0.00000
4
0.04028
0.03269
0.00000
5
-0.04028
-0.03269
0.00000
6
-0.00417
-0.08091
0.00000
7
-0.05443
0.02442
0.00000
8
0.01360
-0.06313
0.00000
9
-0.01360
0.06313
0.00000
10
0.05443
-0.02442
0.00000
11
0.04245
-0.08439
0.00000
12
-0.02955
-0.01982
0.00000
13
0.02955
0.01982
0.00000
14
-0.04245
0.08439
0.00000
15
-0.04727
-0.01635
0.00000
16
0.04727
0.01635
0.00000
17
0.02414
0.03570
0.00000
18
-0.02414
-0.03570
0.00000
19
-0.04005
0.01698
0.00000
20
0.04005
-0.01698
0.00000
21
0.02904
-0.03719
0.00000
22
-0.02904
0.03719
0.00000
23
0.01462
0.03118
0.00000
24
-0.01462
-0.03118
0.00000
25
0.04352
0.05031
0.00000
26
-0.04352
-0.05031
0.00000
27
0.03826
-0.01017
0.00000
28
-0.03826
0.01017
0.00000
29
0.03967
-0.02512
0.00000
30
-0.03967
0.02512
0.00000
31
0.01078
-0.07737
0.00000
32
-0.01078
0.07737
0.00000
33
-0.00156
0.13755
0.00000
34
0.00156
-0.13755
0.00000