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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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)
0.13300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02109
2
0.00000
0.00000
0.02109
3
0.00000
0.00000
-0.04241
4
0.00000
0.00000
0.07234
5
0.00000
0.00000
0.07234
6
0.00000
0.00000
-0.04241
7
0.00000
0.00000
-0.04949
8
0.00000
0.00000
0.05988
9
0.00000
0.00000
0.05988
10
0.00000
0.00000
-0.04949
11
0.00000
0.00000
-0.04590
12
0.00000
0.00000
0.02181
13
0.00000
0.00000
0.02181
14
0.00000
0.00000
-0.04590
15
0.00000
0.00000
-0.07473
16
0.00000
0.00000
-0.07473
17
0.00000
0.00000
0.06683
18
0.00000
0.00000
0.06683
19
0.00000
0.00000
0.04106
20
0.00000
0.00000
0.04106
21
0.00000
0.00000
-0.08114
22
0.00000
0.00000
-0.08114
23
0.00000
0.00000
-0.13553
24
0.00000
0.00000
-0.13553
25
0.00000
0.00000
0.16209
26
0.00000
0.00000
0.16209
27
0.00000
0.00000
0.10502
28
0.00000
0.00000
0.10502
29
0.00000
0.00000
0.03260
30
0.00000
0.00000
0.03260
31
0.00000
0.00000
0.10172
32
0.00000
0.00000
0.10172
33
0.00000
0.00000
-0.13888
34
0.00000
0.00000
-0.13888