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)
0.99900
Diff mu Y
(Debye)
0.22700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.11064
-0.03231
0.00000
2
-0.11064
-0.03232
0.00000
3
-0.06099
-0.03574
0.00000
4
-0.01766
0.00640
0.00000
5
-0.01766
0.00640
0.00000
6
-0.06099
-0.03574
0.00000
7
-0.00102
0.00812
0.00000
8
0.07946
0.05370
0.00000
9
0.07946
0.05370
0.00000
10
-0.00101
0.00813
0.00000
11
-0.01816
0.01449
0.00000
12
0.07600
-0.00337
0.00000
13
0.07600
-0.00337
0.00000
14
-0.01816
0.01449
0.00000
15
0.01840
-0.02290
0.00000
16
0.01840
-0.02290
0.00000
17
-0.01053
0.00936
0.00000
18
-0.01054
0.00936
0.00000
19
-0.00737
-0.02229
0.00000
20
-0.00737
-0.02229
0.00000
21
0.04396
0.01936
0.00000
22
0.04396
0.01936
0.00000
23
-0.06719
-0.10328
0.00000
24
-0.06719
-0.10327
0.00000
25
0.02023
0.03745
0.00000
26
0.02023
0.03745
0.00000
27
-0.05086
-0.00837
0.00000
28
-0.05085
-0.00837
0.00000
29
0.07774
0.01541
0.00000
30
0.07774
0.01541
0.00000
31
0.08059
0.07641
0.00000
32
0.08059
0.07641
0.00000
33
0.04135
0.04410
0.00000
34
0.04135
0.04410
0.00000