Charge: -1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q-1
Electronic States
Energy
(eV)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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
0.00028
-0.00006
0.00000
2
-0.00028
0.00006
0.00000
3
-0.00008
-0.00025
0.00000
4
-0.00009
0.00029
0.00000
5
0.00009
-0.00029
0.00000
6
0.00008
0.00025
0.00000
7
0.00028
-0.00082
0.00000
8
0.01929
0.00415
0.00000
9
-0.01929
-0.00415
0.00000
10
-0.00028
0.00082
0.00000
11
0.00167
0.00092
0.00000
12
0.02395
0.00635
0.00000
13
-0.02395
-0.00635
0.00000
14
-0.00167
-0.00092
0.00000
15
-0.00381
0.00520
0.00000
16
0.00381
-0.00520
0.00000
17
0.02405
-0.02676
0.00000
18
-0.02405
0.02676
0.00000
19
-0.00215
-0.00234
0.00000
20
0.00215
0.00234
0.00000
21
0.03067
0.00652
0.00000
22
-0.03067
-0.00652
0.00000
23
0.03905
-0.04545
0.00000
24
-0.03905
0.04545
0.00000
25
-0.28305
0.31736
0.00000
26
0.28305
-0.31736
0.00000
27
0.01278
0.03038
0.00000
28
-0.01278
-0.03038
0.00000
29
0.27785
0.05618
0.00000
30
-0.27785
-0.05618
0.00000
31
0.23219
0.04503
0.00000
32
-0.23219
-0.04503
0.00000
33
-0.35873
-0.07671
0.00000
34
0.35873
0.07671
0.00000