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)
1.76000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00286
2
0.00000
0.00000
0.00286
3
0.00000
0.00000
-0.03200
4
0.00000
0.00000
0.05101
5
0.00000
0.00000
0.05101
6
0.00000
0.00000
-0.03200
7
0.00000
0.00000
0.06559
8
0.00000
0.00000
-0.08209
9
0.00000
0.00000
-0.08209
10
0.00000
0.00000
0.06559
11
0.00000
0.00000
0.04756
12
0.00000
0.00000
-0.03465
13
0.00000
0.00000
-0.03465
14
0.00000
0.00000
0.04756
15
0.00000
0.00000
-0.04017
16
0.00000
0.00000
-0.04017
17
0.00000
0.00000
-0.01754
18
0.00000
0.00000
-0.01754
19
0.00000
0.00000
-0.00509
20
0.00000
0.00000
-0.00509
21
0.00000
0.00000
-0.04005
22
0.00000
0.00000
-0.04005
23
0.00000
0.00000
0.21936
24
0.00000
0.00000
0.21936
25
0.00000
0.00000
0.01370
26
0.00000
0.00000
0.01370
27
0.00000
0.00000
0.12362
28
0.00000
0.00000
0.12362
29
0.00000
0.00000
0.17116
30
0.00000
0.00000
0.17116
31
0.00000
0.00000
0.36251
32
0.00000
0.00000
0.36251
33
0.00000
0.00000
0.11660
34
0.00000
0.00000
0.11660