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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02971
0.02407
0.00000
2
0.02971
-0.02407
0.00000
3
0.03727
0.02683
0.00000
4
0.04671
0.06587
0.00000
5
-0.04671
-0.06587
0.00000
6
-0.03727
-0.02683
0.00000
7
0.06534
-0.07596
0.00000
8
-0.07207
0.00413
0.00000
9
0.07207
-0.00413
0.00000
10
-0.06534
0.07596
0.00000
11
-0.05960
-0.01642
0.00000
12
-0.02775
0.02651
0.00000
13
0.02775
-0.02651
0.00000
14
0.05960
0.01642
0.00000
15
-0.00335
0.02184
0.00000
16
0.00335
-0.02184
0.00000
17
-0.00498
-0.00978
0.00000
18
0.00498
0.00978
0.00000
19
0.00653
0.04264
0.00000
20
-0.00653
-0.04264
0.00000
21
-0.00304
-0.02646
0.00000
22
0.00304
0.02646
0.00000
23
0.16438
0.16018
0.00000
24
-0.16438
-0.16018
0.00000
25
0.07369
0.05800
0.00000
26
-0.07369
-0.05800
0.00000
27
-0.00849
0.05123
0.00000
28
0.00849
-0.05123
0.00000
29
0.00291
0.09192
0.00000
30
-0.00291
-0.09192
0.00000
31
0.08966
-0.04443
0.00000
32
-0.08966
0.04443
0.00000
33
-0.02270
0.10169
0.00000
34
0.02270
-0.10169
0.00000