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)
2.14900
Diff mu Y
(Debye)
-1.62800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03269
0.00014
0.00000
2
0.03269
0.00014
0.00000
3
0.05017
-0.02673
0.00000
4
-0.08278
-0.00149
0.00000
5
-0.08278
-0.00149
0.00000
6
0.05017
-0.02673
0.00000
7
0.00701
-0.03025
0.00000
8
0.00717
0.01720
0.00000
9
0.00717
0.01720
0.00000
10
0.00701
-0.03025
0.00000
11
-0.07409
0.08550
0.00000
12
0.00774
-0.04142
0.00000
13
0.00774
-0.04142
0.00000
14
-0.07409
0.08550
0.00000
15
0.04705
0.02373
0.00000
16
0.04705
0.02373
0.00000
17
-0.02019
-0.04916
0.00000
18
-0.02019
-0.04916
0.00000
19
0.03567
0.00064
0.00000
20
0.03567
0.00064
0.00000
21
-0.01746
0.02489
0.00000
22
-0.01746
0.02489
0.00000
23
0.10552
0.07712
0.00000
24
0.10552
0.07712
0.00000
25
-0.05551
-0.07981
0.00000
26
-0.05551
-0.07981
0.00000
27
0.02851
0.00226
0.00000
28
0.02851
0.00226
0.00000
29
0.03095
-0.15475
0.00000
30
0.03095
-0.15475
0.00000
31
-0.02348
0.16293
0.00000
32
-0.02348
0.16293
0.00000
33
-0.00223
-0.04407
0.00000
34
-0.00223
-0.04407
0.00000