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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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
0.00455
0.02878
0.00000
2
-0.00455
-0.02878
0.00000
3
-0.05003
0.02663
0.00000
4
-0.00607
0.04126
0.00000
5
0.00607
-0.04126
0.00000
6
0.05003
-0.02663
0.00000
7
0.02983
-0.00263
0.00000
8
0.00274
-0.04738
0.00000
9
-0.00274
0.04738
0.00000
10
-0.02983
0.00263
0.00000
11
0.00966
-0.07532
0.00000
12
0.01833
0.01154
0.00000
13
-0.01833
-0.01154
0.00000
14
-0.00966
0.07532
0.00000
15
0.03502
0.04836
0.00000
16
-0.03502
-0.04836
0.00000
17
-0.01412
0.04216
0.00000
18
0.01412
-0.04216
0.00000
19
0.06945
-0.05146
0.00000
20
-0.06945
0.05146
0.00000
21
-0.04284
0.06050
0.00000
22
0.04284
-0.06050
0.00000
23
-0.13580
-0.10105
0.00000
24
0.13580
0.10106
0.00000
25
-0.07410
-0.00241
0.00000
26
0.07410
0.00241
0.00000
27
-0.16861
0.02189
0.00000
28
0.16862
-0.02189
0.00000
29
-0.02050
-0.02528
0.00000
30
0.02050
0.02528
0.00000
31
0.03133
-0.11114
0.00000
32
-0.03133
0.11114
0.00000
33
-0.00801
-0.13195
0.00000
34
0.00801
0.13195
0.00000