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)
-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
0.00392
-0.09669
0.00000
2
-0.00392
0.09669
0.00000
3
-0.02274
0.00110
0.00000
4
-0.04254
0.00138
0.00000
5
0.04254
-0.00138
0.00000
6
0.02274
-0.00110
0.00000
7
0.08072
0.03929
0.00000
8
-0.00767
-0.04537
0.00000
9
0.00767
0.04536
0.00000
10
-0.08072
-0.03929
0.00000
11
-0.02706
0.05224
0.00000
12
0.02124
-0.01346
0.00000
13
-0.02124
0.01346
0.00000
14
0.02706
-0.05224
0.00000
15
0.01543
-0.01779
0.00000
16
-0.01543
0.01779
0.00000
17
0.01472
-0.02317
0.00000
18
-0.01472
0.02317
0.00000
19
-0.02449
0.00289
0.00000
20
0.02449
-0.00289
0.00000
21
-0.01941
0.00326
0.00000
22
0.01941
-0.00326
0.00000
23
0.05851
0.01820
0.00000
24
-0.05851
-0.01820
0.00000
25
-0.01429
-0.05450
0.00000
26
0.01429
0.05451
0.00000
27
0.09592
-0.03933
0.00000
28
-0.09592
0.03933
0.00000
29
-0.02058
0.00931
0.00000
30
0.02058
-0.00931
0.00000
31
0.08081
-0.30790
0.00000
32
-0.08081
0.30791
0.00000
33
0.02241
-0.19874
0.00000
34
-0.02241
0.19874
0.00000