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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00003
-0.00442
0.00000
2
-0.00002
0.00442
0.00000
3
-0.03573
0.01630
0.00000
4
-0.02578
0.04968
0.00000
5
0.02578
-0.04968
0.00000
6
0.03573
-0.01630
0.00000
7
-0.04165
0.02510
0.00000
8
-0.04818
0.04725
0.00000
9
0.04818
-0.04725
0.00000
10
0.04165
-0.02510
0.00000
11
-0.02657
0.01931
0.00000
12
-0.01319
0.07579
0.00000
13
0.01319
-0.07579
0.00000
14
0.02656
-0.01931
0.00000
15
-0.02957
-0.05195
0.00000
16
0.02957
0.05195
0.00000
17
0.06451
0.01154
0.00000
18
-0.06451
-0.01154
0.00000
19
0.08363
-0.00120
0.00000
20
-0.08363
0.00120
0.00000
21
0.05007
-0.01349
0.00000
22
-0.05007
0.01348
0.00000
23
-0.07793
-0.09450
0.00000
24
0.07793
0.09450
0.00000
25
0.10586
0.04905
0.00000
26
-0.10585
-0.04905
0.00000
27
0.09032
-0.00312
0.00000
28
-0.09032
0.00312
0.00000
29
0.01869
-0.10372
0.00000
30
-0.01869
0.10372
0.00000
31
0.05229
-0.06223
0.00000
32
-0.05229
0.06223
0.00000
33
0.06463
-0.08299
0.00000
34
-0.06463
0.08299
0.00000