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)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.91900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07000
0.00000
0.00228
2
-0.07000
0.00000
-0.00228
3
-0.08116
0.00000
-0.00136
4
-0.08672
0.00000
-0.00615
5
-0.08116
0.00000
0.00136
6
-0.08672
0.00000
0.00615
7
0.01214
0.00000
0.00633
8
0.01890
0.00000
0.01072
9
0.01214
0.00000
-0.00633
10
0.01890
0.00000
-0.01072
11
0.05052
0.00000
-0.05626
12
0.04173
0.00000
-0.05602
13
0.05052
0.00000
0.05626
14
0.04173
0.00000
0.05602
15
0.06600
0.00000
-0.03144
16
0.04791
0.00000
-0.03577
17
0.06600
0.00000
0.03144
18
0.04791
0.00000
0.03577
19
-0.01394
0.00000
0.00800
20
-0.01394
0.00000
-0.00800
21
0.00342
0.00000
-0.00120
22
0.00342
0.00000
0.00120
23
0.07038
0.00000
-0.00325
24
0.05107
0.00000
-0.01650
25
0.07038
0.00000
0.00325
26
0.05107
0.00000
0.01650
27
0.00449
0.00000
-0.08784
28
-0.00691
0.00000
-0.08944
29
0.00449
0.00000
0.08784
30
-0.00692
0.00000
0.08944
31
0.03929
0.00000
-0.00221
32
0.03929
0.00000
0.00221
33
-0.02531
0.00000
0.00127
34
-0.02531
0.00000
-0.00127