Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q+1
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.30700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05684
0.00000
-0.04560
2
0.05684
0.00000
0.04560
3
0.00039
0.00000
0.02402
4
0.01325
0.00000
-0.07111
5
0.00039
0.00000
-0.02402
6
0.01325
0.00000
0.07111
7
-0.01470
0.00000
0.01092
8
-0.06005
0.00000
0.03447
9
-0.01470
0.00000
-0.01092
10
-0.06005
0.00000
-0.03447
11
0.00246
0.00000
-0.00180
12
0.05310
0.00000
0.04518
13
0.00246
0.00000
0.00180
14
0.05310
0.00000
-0.04518
15
0.02456
0.00000
-0.01080
16
0.00744
0.00000
-0.07966
17
0.02456
0.00000
0.01080
18
0.00744
0.00000
0.07966
19
0.00052
0.00000
-0.00953
20
0.00052
0.00000
0.00953
21
-0.09881
0.00000
-0.00910
22
-0.09882
0.00000
0.00910
23
0.02575
0.00000
-0.16325
24
0.00347
0.00000
0.01805
25
0.02575
0.00000
0.16326
26
0.00347
0.00000
-0.01805
27
0.09662
0.00000
0.04846
28
0.00581
0.00000
0.01885
29
0.09662
0.00000
-0.04846
30
0.00581
0.00000
-0.01885
31
0.03854
0.00000
-0.01561
32
0.03854
0.00000
0.01561
33
0.00843
0.00000
-0.00459
34
0.00843
0.00000
0.00459