Charge: 0
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
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.14200
Eigenvectors
#
X
Y
Z
1
0.04277
0.00000
0.04939
2
-0.04277
0.00000
0.04939
3
0.01627
0.00000
-0.05961
4
-0.02489
0.00000
0.07652
5
-0.01627
0.00000
-0.05961
6
0.02489
0.00000
0.07652
7
-0.03608
0.00000
-0.05285
8
0.02538
0.00000
-0.04614
9
0.03608
0.00000
-0.05285
10
-0.02538
0.00000
-0.04614
11
-0.01599
0.00000
0.00604
12
-0.01848
0.00000
-0.00131
13
0.01599
0.00000
0.00604
14
0.01848
0.00000
-0.00131
15
0.01505
0.00000
0.00046
16
0.00327
0.00000
-0.00184
17
-0.01504
0.00000
0.00046
18
-0.00327
0.00000
-0.00184
19
-0.00857
0.00000
0.03870
20
0.00857
0.00000
0.03870
21
-0.00347
0.00000
-0.02581
22
0.00347
0.00000
-0.02580
23
0.01504
0.00000
0.17816
24
0.00184
0.00000
0.01170
25
-0.01504
0.00000
0.17815
26
-0.00183
0.00000
0.01171
27
0.01813
0.00000
0.02296
28
-0.02259
0.00000
-0.00447
29
-0.01813
0.00000
0.02296
30
0.02258
0.00000
-0.00447
31
0.26840
0.00000
-0.17842
32
-0.26841
0.00000
-0.17842
33
0.19704
0.00000
0.16599
34
-0.19702
0.00000
0.16598