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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
1.00200
Diff mu Y
(Debye)
1.13000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00017
-0.00025
0.00000
2
-0.00017
-0.00025
0.00000
3
-0.00001
0.00007
0.00000
4
-0.00081
0.00177
0.00000
5
-0.00081
0.00177
0.00000
6
-0.00001
0.00007
0.00000
7
0.00010
-0.00234
0.00000
8
-0.04143
-0.00837
0.00000
9
-0.04143
-0.00837
0.00000
10
0.00010
-0.00234
0.00000
11
-0.00084
-0.00095
0.00000
12
-0.00146
0.00022
0.00000
13
-0.00146
0.00022
0.00000
14
-0.00084
-0.00095
0.00000
15
0.01911
-0.02346
0.00000
16
0.01911
-0.02346
0.00000
17
-0.00230
0.00208
0.00000
18
-0.00230
0.00208
0.00000
19
0.00613
0.02055
0.00000
20
0.00613
0.02055
0.00000
21
0.01308
0.00257
0.00000
22
0.01308
0.00257
0.00000
23
-0.23349
0.26377
0.00000
24
-0.23349
0.26377
0.00000
25
0.01810
-0.01625
0.00000
26
0.01810
-0.01625
0.00000
27
-0.07307
-0.22462
0.00000
28
-0.07307
-0.22462
0.00000
29
0.03531
0.00474
0.00000
30
0.03531
0.00474
0.00000
31
0.49426
0.09933
0.00000
32
0.49426
0.09933
0.00000
33
-0.13881
-0.03025
0.00000
34
-0.13881
-0.03025
0.00000