Charge: 0
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
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)
0.05800
Eigenvectors
#
X
Y
Z
1
0.02185
0.00000
0.00710
2
-0.02185
0.00000
0.00710
3
-0.04934
0.00000
-0.00258
4
-0.01329
0.00000
-0.02871
5
0.04933
0.00000
-0.00258
6
0.01329
0.00000
-0.02871
7
-0.11168
0.00000
-0.05932
8
-0.03760
0.00000
0.02063
9
0.11168
0.00000
-0.05932
10
0.03760
0.00000
0.02063
11
0.03186
0.00000
-0.02258
12
0.03568
0.00000
-0.00399
13
-0.03186
0.00000
-0.02258
14
-0.03568
0.00000
-0.00399
15
0.02714
0.00000
-0.00274
16
0.00723
0.00000
-0.01845
17
-0.02714
0.00000
-0.00274
18
-0.00723
0.00000
-0.01845
19
-0.02016
0.00000
0.04559
20
0.02016
0.00000
0.04559
21
-0.00045
0.00000
0.05260
22
0.00045
0.00000
0.05260
23
0.03233
0.00000
0.06820
24
0.01222
0.00000
-0.16548
25
-0.03233
0.00000
0.06820
26
-0.01222
0.00000
-0.16548
27
0.15590
0.00000
0.03887
28
0.16196
0.00000
0.06790
29
-0.15590
0.00000
0.03887
30
-0.16196
0.00000
0.06790
31
-0.16172
0.00000
0.08642
32
0.16172
0.00000
0.08641
33
-0.02692
0.00000
0.05236
34
0.02692
0.00000
0.05236