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
-0.01548
-0.02857
0.00000
2
0.01549
0.02857
0.00000
3
-0.02134
0.01325
0.00000
4
-0.00850
-0.03566
0.00000
5
0.00850
0.03567
0.00000
6
0.02133
-0.01324
0.00000
7
-0.00074
0.06548
0.00000
8
0.01805
-0.02528
0.00000
9
-0.01805
0.02527
0.00000
10
0.00074
-0.06547
0.00000
11
0.05119
0.00146
0.00000
12
-0.00352
0.06827
0.00000
13
0.00352
-0.06828
0.00000
14
-0.05118
-0.00146
0.00000
15
-0.00441
0.03785
0.00000
16
0.00441
-0.03785
0.00000
17
-0.07648
-0.04331
0.00000
18
0.07647
0.04331
0.00000
19
0.05453
0.02924
0.00000
20
-0.05452
-0.02924
0.00000
21
-0.00550
-0.06714
0.00000
22
0.00549
0.06714
0.00000
23
-0.04294
0.01177
0.00000
24
0.04294
-0.01176
0.00000
25
0.12553
0.14150
0.00000
26
-0.12552
-0.14148
0.00000
27
-0.06385
0.07722
0.00000
28
0.06383
-0.07721
0.00000
29
-0.04037
0.13911
0.00000
30
0.04037
-0.13909
0.00000
31
-0.00207
-0.07058
0.00000
32
0.00207
0.07059
0.00000
33
-0.05634
0.15748
0.00000
34
0.05634
-0.15747
0.00000