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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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)
-1.97600
Diff mu Y
(Debye)
-0.55500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02053
0.02337
0.00000
2
-0.02053
0.02337
0.00000
3
0.00616
-0.04052
0.00000
4
0.04890
-0.02211
0.00000
5
0.04890
-0.02211
0.00000
6
0.00616
-0.04052
0.00000
7
0.02582
0.04311
0.00000
8
-0.01303
-0.02572
0.00000
9
-0.01303
-0.02572
0.00000
10
0.02582
0.04311
0.00000
11
-0.06274
-0.02258
0.00000
12
-0.03249
0.04711
0.00000
13
-0.03249
0.04711
0.00000
14
-0.06274
-0.02258
0.00000
15
0.05072
0.00462
0.00000
16
0.05072
0.00462
0.00000
17
0.00986
0.04533
0.00000
18
0.00986
0.04533
0.00000
19
0.07446
-0.03941
0.00000
20
0.07446
-0.03941
0.00000
21
-0.04055
-0.00427
0.00000
22
-0.04055
-0.00427
0.00000
23
-0.07398
-0.10592
0.00000
24
-0.07398
-0.10592
0.00000
25
-0.15778
-0.08707
0.00000
26
-0.15778
-0.08707
0.00000
27
-0.23854
0.06881
0.00000
28
-0.23854
0.06881
0.00000
29
-0.00153
-0.11530
0.00000
30
-0.00153
-0.11530
0.00000
31
-0.02065
0.05448
0.00000
32
-0.02065
0.05448
0.00000
33
-0.06227
0.07892
0.00000
34
-0.06227
0.07892
0.00000