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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
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)
-0.90700
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.01664
2
0.00000
0.00000
-0.01664
3
0.00000
0.00000
0.06449
4
0.00000
0.00000
0.00985
5
0.00000
0.00000
0.00985
6
0.00000
0.00000
0.06449
7
0.00000
0.00000
-0.04534
8
0.00000
0.00000
-0.02966
9
0.00000
0.00000
-0.02966
10
0.00000
0.00000
-0.04534
11
0.00000
0.00000
-0.08626
12
0.00000
0.00000
0.01623
13
0.00000
0.00000
0.01623
14
0.00000
0.00000
-0.08626
15
0.00000
0.00000
0.04765
16
0.00000
0.00000
0.04765
17
0.00000
0.00000
0.02296
18
0.00000
0.00000
0.02296
19
0.00000
0.00000
0.01028
20
0.00000
0.00000
0.01028
21
0.00000
0.00000
0.05205
22
0.00000
0.00000
0.05205
23
0.00000
0.00000
-0.12501
24
0.00000
0.00000
-0.12502
25
0.00000
0.00000
0.00827
26
0.00000
0.00000
0.00827
27
0.00000
0.00000
-0.22281
28
0.00000
0.00000
-0.22282
29
0.00000
0.00000
-0.25512
30
0.00000
0.00000
-0.25512
31
0.00000
0.00000
0.26756
32
0.00000
0.00000
0.26756
33
0.00000
0.00000
-0.21591
34
0.00000
0.00000
-0.21591