Charge: 2
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+2
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)
-0.57800
Diff mu Y
(Debye)
0.18900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00021
0.00000
2
0.00000
0.00021
0.00000
3
-0.00010
0.00018
0.00000
4
0.00030
-0.00066
0.00000
5
0.00030
-0.00066
0.00000
6
-0.00010
0.00018
0.00000
7
-0.00027
0.00008
0.00000
8
-0.01923
-0.00361
0.00000
9
-0.01923
-0.00361
0.00000
10
-0.00027
0.00008
0.00000
11
0.00003
0.00019
0.00000
12
-0.02650
-0.00676
0.00000
13
-0.02650
-0.00676
0.00000
14
0.00003
0.00019
0.00000
15
-0.01914
0.02379
0.00000
16
-0.01914
0.02379
0.00000
17
-0.02132
0.02261
0.00000
18
-0.02132
0.02261
0.00000
19
0.00209
0.00495
0.00000
20
0.00209
0.00495
0.00000
21
-0.01592
-0.00354
0.00000
22
-0.01592
-0.00354
0.00000
23
0.23402
-0.26348
0.00000
24
0.23402
-0.26348
0.00000
25
0.24544
-0.27630
0.00000
26
0.24544
-0.27630
0.00000
27
-0.01921
-0.05392
0.00000
28
-0.01921
-0.05392
0.00000
29
0.30600
0.06668
0.00000
30
0.30600
0.06668
0.00000
31
0.23264
0.04289
0.00000
32
0.23264
0.04289
0.00000
33
0.19233
0.03822
0.00000
34
0.19233
0.03822
0.00000