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)
0.18200
Diff mu Y
(Debye)
0.33200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03760
0.03717
0.00000
2
0.03760
0.03717
0.00000
3
-0.03626
0.05747
0.00000
4
0.06027
-0.02847
0.00000
5
0.06027
-0.02847
0.00000
6
-0.03626
0.05747
0.00000
7
-0.02837
-0.01769
0.00000
8
0.00312
-0.01176
0.00000
9
0.00312
-0.01176
0.00000
10
-0.02837
-0.01769
0.00000
11
-0.05571
0.06782
0.00000
12
0.03919
-0.06219
0.00000
13
0.03919
-0.06219
0.00000
14
-0.05571
0.06782
0.00000
15
-0.04892
-0.02319
0.00000
16
-0.04892
-0.02319
0.00000
17
0.00046
0.06037
0.00000
18
0.00046
0.06037
0.00000
19
0.02466
-0.02230
0.00000
20
0.02466
-0.02230
0.00000
21
-0.00027
-0.04356
0.00000
22
-0.00027
-0.04356
0.00000
23
-0.12544
-0.08868
0.00000
24
-0.12544
-0.08868
0.00000
25
0.05763
0.10787
0.00000
26
0.05763
0.10787
0.00000
27
0.07360
-0.03963
0.00000
28
0.07360
-0.03963
0.00000
29
0.04951
-0.12386
0.00000
30
0.04951
-0.12386
0.00000
31
-0.00770
0.04655
0.00000
32
-0.00770
0.04655
0.00000
33
0.00276
-0.06495
0.00000
34
0.00276
-0.06495
0.00000