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)
-0.09000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05109
0.00000
0.00878
2
-0.05109
0.00000
-0.00878
3
-0.05309
0.00000
0.02069
4
-0.01557
0.00000
-0.00992
5
-0.05309
0.00000
-0.02069
6
-0.01557
0.00000
0.00992
7
0.00388
0.00000
0.06147
8
0.04253
0.00000
0.01307
9
0.00388
0.00000
-0.06147
10
0.04253
0.00000
-0.01307
11
-0.00258
0.00000
0.04885
12
0.04481
0.00000
0.05062
13
-0.00259
0.00000
-0.04885
14
0.04481
0.00000
-0.05062
15
-0.01712
0.00000
0.03296
16
-0.00208
0.00000
0.06441
17
-0.01713
0.00000
-0.03296
18
-0.00208
0.00000
-0.06441
19
0.08470
0.00000
0.03574
20
0.08470
0.00000
-0.03573
21
-0.05591
0.00000
-0.00983
22
-0.05591
0.00000
0.00983
23
-0.01799
0.00000
0.07029
24
-0.00376
0.00000
0.12627
25
-0.01799
0.00000
-0.07029
26
-0.00376
0.00000
-0.12627
27
-0.01862
0.00000
0.04075
28
0.07042
0.00000
0.06653
29
-0.01862
0.00000
-0.04075
30
0.07041
0.00000
-0.06653
31
0.08419
0.00000
-0.00863
32
0.08419
0.00000
0.00863
33
0.14219
0.00000
0.06988
34
0.14219
0.00000
-0.06987