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)
0.00400
Diff mu Y
(Debye)
0.00200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05703
-0.07010
0.00000
2
-0.05693
0.07009
0.00000
3
0.03244
0.06501
0.00000
4
0.04113
0.03563
0.00000
5
-0.04124
-0.03572
0.00000
6
-0.03272
-0.06490
0.00000
7
-0.09925
0.02804
0.00000
8
0.03889
-0.08249
0.00000
9
-0.03899
0.08269
0.00000
10
0.09958
-0.02797
0.00000
11
0.02442
-0.02996
0.00000
12
-0.01202
-0.02510
0.00000
13
0.01207
0.02514
0.00000
14
-0.02435
0.02977
0.00000
15
-0.02304
-0.01566
0.00000
16
0.02297
0.01562
0.00000
17
0.00769
0.00795
0.00000
18
-0.00743
-0.00773
0.00000
19
-0.01043
-0.01078
0.00000
20
0.01024
0.01086
0.00000
21
0.01483
0.01692
0.00000
22
-0.01479
-0.01731
0.00000
23
0.00675
0.00978
0.00000
24
-0.00671
-0.00973
0.00000
25
0.00787
0.00585
0.00000
26
-0.00835
-0.00630
0.00000
27
0.07586
-0.04062
0.00000
28
-0.07654
0.04087
0.00000
29
0.03741
-0.09298
0.00000
30
-0.03733
0.09286
0.00000
31
-0.01079
-0.06994
0.00000
32
0.01074
0.06992
0.00000
33
0.00303
0.07340
0.00000
34
-0.00318
-0.07285
0.00000