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)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03950
-0.01424
0.00000
2
0.03950
0.01424
0.00000
3
-0.02144
0.04097
0.00000
4
-0.00047
0.04447
0.00000
5
0.00047
-0.04447
0.00000
6
0.02144
-0.04097
0.00000
7
-0.00266
-0.00039
0.00000
8
-0.01405
-0.01095
0.00000
9
0.01406
0.01095
0.00000
10
0.00266
0.00039
0.00000
11
0.09669
0.05968
0.00000
12
0.02089
0.00483
0.00000
13
-0.02089
-0.00483
0.00000
14
-0.09669
-0.05968
0.00000
15
-0.02602
0.01859
0.00000
16
0.02602
-0.01859
0.00000
17
0.02497
-0.01460
0.00000
18
-0.02497
0.01460
0.00000
19
-0.02119
-0.01826
0.00000
20
0.02119
0.01826
0.00000
21
0.01019
-0.01575
0.00000
22
-0.01020
0.01575
0.00000
23
-0.17020
-0.09870
0.00000
24
0.17020
0.09870
0.00000
25
-0.25003
-0.26448
0.00000
26
0.25003
0.26448
0.00000
27
-0.10202
0.00470
0.00000
28
0.10203
-0.00470
0.00000
29
-0.01873
-0.03954
0.00000
30
0.01873
0.03954
0.00000
31
-0.02499
0.20708
0.00000
32
0.02499
-0.20708
0.00000
33
0.00139
0.02008
0.00000
34
-0.00139
-0.02009
0.00000