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)
0.34400
Diff mu Y
(Debye)
0.34900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01209
-0.00353
0.00000
2
-0.01210
-0.00353
0.00000
3
0.02775
-0.00207
0.00000
4
0.00810
-0.04029
0.00000
5
0.00810
-0.04029
0.00000
6
0.02775
-0.00208
0.00000
7
-0.01699
0.00836
0.00000
8
-0.00154
0.06299
0.00000
9
-0.00154
0.06299
0.00000
10
-0.01699
0.00836
0.00000
11
0.00029
0.03420
0.00000
12
-0.02221
-0.06113
0.00000
13
-0.02221
-0.06113
0.00000
14
0.00029
0.03420
0.00000
15
0.03235
0.06359
0.00000
16
0.03235
0.06359
0.00000
17
-0.02783
-0.05573
0.00000
18
-0.02783
-0.05573
0.00000
19
-0.04032
0.06076
0.00000
20
-0.04032
0.06076
0.00000
21
0.03999
-0.08014
0.00000
22
0.03998
-0.08014
0.00000
23
-0.07311
-0.01845
0.00000
24
-0.07312
-0.01845
0.00000
25
0.12735
0.07737
0.00000
26
0.12735
0.07736
0.00000
27
0.11110
0.01968
0.00000
28
0.11109
0.01968
0.00000
29
-0.05163
0.03981
0.00000
30
-0.05163
0.03981
0.00000
31
0.03939
-0.11659
0.00000
32
0.03939
-0.11659
0.00000
33
-0.00411
0.15297
0.00000
34
-0.00411
0.15297
0.00000