Charge: 2
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+2
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 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)
0.11700
Diff mu Y
(Debye)
0.32700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04851
-0.02572
0.00000
2
0.04851
-0.02572
0.00000
3
-0.08046
0.02438
0.00000
4
0.01647
-0.02389
0.00000
5
0.01647
-0.02389
0.00000
6
-0.08046
0.02438
0.00000
7
-0.03001
0.00444
0.00000
8
0.05043
-0.02160
0.00000
9
0.05043
-0.02160
0.00000
10
-0.03001
0.00444
0.00000
11
-0.03785
0.03063
0.00000
12
-0.05211
0.01051
0.00000
13
-0.05211
0.01051
0.00000
14
-0.03785
0.03063
0.00000
15
0.05855
-0.01857
0.00000
16
0.05855
-0.01857
0.00000
17
0.05281
-0.02070
0.00000
18
0.05281
-0.02070
0.00000
19
-0.02704
-0.01857
0.00000
20
-0.02704
-0.01857
0.00000
21
-0.00420
0.02642
0.00000
22
-0.00420
0.02642
0.00000
23
0.11561
0.02990
0.00000
24
0.11561
0.02990
0.00000
25
0.18854
0.09438
0.00000
26
0.18854
0.09438
0.00000
27
-0.19497
0.03291
0.00000
28
-0.19497
0.03291
0.00000
29
-0.08911
0.17958
0.00000
30
-0.08911
0.17958
0.00000
31
0.05803
-0.04347
0.00000
32
0.05803
-0.04347
0.00000
33
-0.01968
0.09563
0.00000
34
-0.01968
0.09564
0.00000