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)
-0.09600
Eigenvectors
#
X
Y
Z
1
0.01963
0.00000
-0.00073
2
-0.01963
0.00000
-0.00073
3
0.01029
0.00000
0.00763
4
-0.00798
0.00000
0.00380
5
-0.01029
0.00000
0.00763
6
0.00798
0.00000
0.00380
7
-0.01769
0.00000
-0.01238
8
0.01913
0.00000
-0.00094
9
0.01769
0.00000
-0.01238
10
-0.01913
0.00000
-0.00094
11
-0.01741
0.00000
-0.02731
12
-0.01405
0.00000
-0.01262
13
0.01741
0.00000
-0.02732
14
0.01405
0.00000
-0.01262
15
0.03089
0.00000
0.02848
16
-0.00396
0.00000
0.01347
17
-0.03089
0.00000
0.02848
18
0.00396
0.00000
0.01347
19
-0.06309
0.00000
0.00370
20
0.06309
0.00000
0.00370
21
-0.01967
0.00000
0.00303
22
0.01967
0.00000
0.00303
23
0.03321
0.00000
0.30654
24
-0.00426
0.00000
0.01595
25
-0.03321
0.00000
0.30655
26
0.00426
0.00000
0.01595
27
-0.24236
0.00000
-0.15462
28
-0.05878
0.00000
-0.03876
29
0.24236
0.00000
-0.15462
30
0.05877
0.00000
-0.03875
31
0.03609
0.00000
-0.01023
32
-0.03609
0.00000
-0.01023
33
-0.40641
0.00000
-0.19189
34
0.40641
0.00000
-0.19189