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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.02668
2
0.00000
0.00000
-0.02668
3
0.00000
0.00000
-0.00344
4
0.00000
0.00000
-0.04673
5
0.00000
0.00000
0.04673
6
0.00000
0.00000
0.00344
7
0.00000
0.00000
0.02775
8
0.00000
0.00000
0.08580
9
0.00000
0.00000
-0.08580
10
0.00000
0.00000
-0.02776
11
0.00000
0.00000
-0.05522
12
0.00000
0.00000
-0.08103
13
0.00000
0.00000
0.08103
14
0.00000
0.00000
0.05522
15
0.00000
0.00000
-0.07466
16
0.00000
0.00000
0.07466
17
0.00000
0.00000
0.05245
18
0.00000
0.00000
-0.05245
19
0.00000
0.00000
0.01266
20
0.00000
0.00000
-0.01266
21
0.00000
0.00000
-0.06189
22
0.00000
0.00000
0.06189
23
0.00000
0.00000
-0.13062
24
0.00000
0.00000
0.13062
25
0.00000
0.00000
0.12724
26
0.00000
0.00000
-0.12724
27
0.00000
0.00000
0.02322
28
0.00000
0.00000
-0.02322
29
0.00000
0.00000
0.14798
30
0.00000
0.00000
-0.14798
31
0.00000
0.00000
-0.16634
32
0.00000
0.00000
0.16634
33
0.00000
0.00000
-0.14213
34
0.00000
0.00000
0.14213