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)
0.32200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01234
0.00000
-0.00519
2
-0.01234
0.00000
0.00518
3
0.03005
0.00000
0.02092
4
0.00942
0.00000
0.03903
5
0.03005
0.00000
-0.02092
6
0.00943
0.00000
-0.03904
7
0.02439
0.00000
0.04541
8
0.02803
0.00000
0.06565
9
0.02440
0.00000
-0.04540
10
0.02803
0.00000
-0.06565
11
0.04647
0.00000
-0.06628
12
0.02429
0.00000
-0.05655
13
0.04647
0.00000
0.06629
14
0.02429
0.00000
0.05655
15
-0.02850
0.00000
-0.01470
16
-0.02971
0.00000
-0.02356
17
-0.02851
0.00000
0.01470
18
-0.02972
0.00000
0.02355
19
-0.04662
0.00000
0.09798
20
-0.04662
0.00000
-0.09798
21
-0.04146
0.00000
0.00866
22
-0.04146
0.00000
-0.00867
23
-0.02794
0.00000
0.05889
24
-0.03059
0.00000
0.03238
25
-0.02795
0.00000
-0.05890
26
-0.03060
0.00000
-0.03239
27
0.03663
0.00000
-0.07179
28
-0.01367
0.00000
-0.07811
29
0.03665
0.00000
0.07179
30
-0.01366
0.00000
0.07812
31
-0.04168
0.00000
0.10318
32
-0.04168
0.00000
-0.10318
33
0.02964
0.00000
0.14215
34
0.02964
0.00000
-0.14214