Charge: 1
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/q+1
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.03100
Eigenvectors
#
X
Y
Z
1
-0.00577
0.00000
-0.06131
2
0.00577
0.00000
-0.06131
3
-0.00459
0.00000
-0.10245
4
-0.00562
0.00000
0.01291
5
0.00459
0.00000
-0.10245
6
0.00562
0.00000
0.01291
7
0.01619
0.00000
-0.02559
8
0.02725
0.00000
0.08278
9
-0.01618
0.00000
-0.02559
10
-0.02725
0.00000
0.08279
11
-0.04791
0.00000
0.04383
12
0.01753
0.00000
-0.03121
13
0.04792
0.00000
0.04383
14
-0.01753
0.00000
-0.03121
15
-0.02297
0.00000
0.00829
16
-0.04836
0.00000
-0.00536
17
0.02296
0.00000
0.00829
18
0.04837
0.00000
-0.00536
19
-0.01480
0.00000
0.07147
20
0.01480
0.00000
0.07147
21
0.03130
0.00000
-0.00180
22
-0.03130
0.00000
-0.00180
23
-0.02482
0.00000
-0.09599
24
-0.05054
0.00000
0.05370
25
0.02481
0.00000
-0.09600
26
0.05055
0.00000
0.05371
27
-0.02521
0.00000
0.05973
28
-0.02739
0.00000
-0.05530
29
0.02522
0.00000
0.05973
30
0.02739
0.00000
-0.05530
31
-0.02091
0.00000
0.10994
32
0.02091
0.00000
0.10994
33
-0.09763
0.00000
0.02820
34
0.09763
0.00000
0.02820