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)
-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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.32900
Eigenvectors
#
X
Y
Z
1
0.06712
0.00000
0.00499
2
-0.06712
0.00000
0.00499
3
-0.09360
0.00000
-0.00769
4
0.06538
0.00000
-0.00067
5
0.09360
0.00000
-0.00769
6
-0.06538
0.00000
-0.00067
7
0.06546
0.00000
0.00592
8
-0.05391
0.00000
0.01314
9
-0.06546
0.00000
0.00592
10
0.05391
0.00000
0.01314
11
-0.03905
0.00000
-0.01515
12
0.04137
0.00000
0.00780
13
0.03905
0.00000
-0.01515
14
-0.04137
0.00000
0.00780
15
0.01466
0.00000
0.01397
16
-0.01632
0.00000
0.00195
17
-0.01466
0.00000
0.01397
18
0.01632
0.00000
0.00195
19
-0.08949
0.00000
-0.01537
20
0.08949
0.00000
-0.01537
21
-0.03831
0.00000
-0.00851
22
0.03831
0.00000
-0.00851
23
0.01647
0.00000
-0.01917
24
-0.01863
0.00000
-0.00921
25
-0.01647
0.00000
-0.01917
26
0.01863
0.00000
-0.00921
27
0.03963
0.00000
0.03261
28
-0.02945
0.00000
-0.03846
29
-0.03962
0.00000
0.03260
30
0.02945
0.00000
-0.03846
31
0.08482
0.00000
-0.06240
32
-0.08482
0.00000
-0.06240
33
0.07724
0.00000
0.09212
34
-0.07724
0.00000
0.09212