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)
0.06300
Eigenvectors
#
X
Y
Z
1
0.02660
0.00000
0.07238
2
-0.02660
0.00000
0.07238
3
0.05289
0.00000
-0.08832
4
0.01249
0.00000
-0.04194
5
-0.05289
0.00000
-0.08832
6
-0.01249
0.00000
-0.04194
7
-0.03672
0.00000
0.08872
8
0.00605
0.00000
0.00671
9
0.03672
0.00000
0.08872
10
-0.00605
0.00000
0.00671
11
0.02087
0.00000
0.02079
12
-0.01039
0.00000
0.01417
13
-0.02087
0.00000
0.02079
14
0.01039
0.00000
0.01417
15
-0.00319
0.00000
-0.04678
16
-0.00655
0.00000
-0.01559
17
0.00319
0.00000
-0.04678
18
0.00655
0.00000
-0.01559
19
-0.05283
0.00000
-0.02717
20
0.05283
0.00000
-0.02717
21
-0.04117
0.00000
-0.00948
22
0.04117
0.00000
-0.00948
23
-0.00610
0.00000
0.02418
24
-0.01085
0.00000
0.13992
25
0.00610
0.00000
0.02418
26
0.01085
0.00000
0.13992
27
0.11997
0.00000
0.08002
28
0.00851
0.00000
0.02887
29
-0.11997
0.00000
0.08002
30
-0.00851
0.00000
0.02887
31
-0.09899
0.00000
0.06395
32
0.09899
0.00000
0.06395
33
-0.04851
0.00000
-0.02131
34
0.04851
0.00000
-0.02131