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)
-844.54925
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.10300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03375
2
0.00000
0.00000
-0.03376
3
0.00000
0.00000
-0.01995
4
0.00000
0.00000
-0.02708
5
0.00000
0.00000
-0.02707
6
0.00000
0.00000
-0.01995
7
0.00000
0.00000
-0.06458
8
0.00000
0.00000
-0.06986
9
0.00000
0.00000
-0.06986
10
0.00000
0.00000
-0.06458
11
0.00000
0.00000
0.05197
12
0.00000
0.00000
0.04597
13
0.00000
0.00000
0.04597
14
0.00000
0.00000
0.05197
15
0.00000
0.00000
0.09811
16
0.00000
0.00000
0.09811
17
0.00000
0.00000
0.07180
18
0.00000
0.00000
0.07180
19
0.00000
0.00000
0.00169
20
0.00000
0.00000
0.00169
21
0.00000
0.00000
-0.06944
22
0.00000
0.00000
-0.06944
23
0.00000
0.00000
0.16542
24
0.00000
0.00000
0.16542
25
0.00000
0.00000
0.13485
26
0.00000
0.00000
0.13485
27
0.00000
0.00000
0.00747
28
0.00000
0.00000
0.00747
29
0.00000
0.00000
0.06962
30
0.00000
0.00000
0.06962
31
0.00000
0.00000
-0.08136
32
0.00000
0.00000
-0.08136
33
0.00000
0.00000
-0.11607
34
0.00000
0.00000
-0.11607