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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00074
0.00000
2
0.00000
0.00074
0.00000
3
0.00000
-0.07598
0.00000
4
0.00000
0.08761
0.00000
5
0.00000
0.07598
0.00000
6
0.00000
-0.08760
0.00000
7
0.00000
-0.02130
0.00000
8
0.00000
0.01593
0.00000
9
0.00000
0.02130
0.00000
10
0.00000
-0.01593
0.00000
11
0.00000
0.05040
0.00000
12
0.00000
-0.02852
0.00000
13
0.00000
-0.05040
0.00000
14
0.00000
0.02852
0.00000
15
0.00000
-0.03852
0.00000
16
0.00000
0.03229
0.00000
17
0.00000
0.03852
0.00000
18
0.00000
-0.03229
0.00000
19
0.00000
-0.01016
0.00000
20
0.00000
0.01016
0.00000
21
0.00000
0.11920
0.00000
22
0.00000
-0.11920
0.00000
23
0.00000
-0.21730
0.00000
24
0.00000
0.18148
0.00000
25
0.00000
0.21730
0.00000
26
0.00000
-0.18148
0.00000
27
0.00000
0.00611
0.00000
28
0.00000
-0.04155
0.00000
29
0.00000
-0.00611
0.00000
30
0.00000
0.04156
0.00000
31
0.00000
-0.07189
0.00000
32
0.00000
0.07189
0.00000
33
0.00000
0.00765
0.00000
34
0.00000
-0.00766
0.00000