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)
0.21600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.09226
0.00000
0.01873
2
-0.09226
0.00000
-0.01873
3
0.01922
0.00000
0.00144
4
0.04599
0.00000
-0.00218
5
0.01922
0.00000
-0.00144
6
0.04599
0.00000
0.00218
7
0.06700
0.00000
0.00841
8
0.00533
0.00000
-0.00008
9
0.06700
0.00000
-0.00841
10
0.00533
0.00000
0.00008
11
-0.01755
0.00000
0.02319
12
-0.00246
0.00000
0.02479
13
-0.01755
0.00000
-0.02319
14
-0.00246
0.00000
-0.02479
15
0.01209
0.00000
-0.01570
16
0.02094
0.00000
-0.01110
17
0.01209
0.00000
0.01570
18
0.02094
0.00000
0.01110
19
-0.00820
0.00000
0.00730
20
-0.00820
0.00000
-0.00730
21
-0.02757
0.00000
0.01620
22
-0.02757
0.00000
-0.01620
23
0.01144
0.00000
-0.25234
24
0.02432
0.00000
-0.23889
25
0.01144
0.00000
0.25235
26
0.02432
0.00000
0.23889
27
-0.08997
0.00000
-0.01355
28
0.15512
0.00000
0.11880
29
-0.08997
0.00000
0.01355
30
0.15511
0.00000
-0.11879
31
-0.23963
0.00000
0.13235
32
-0.23963
0.00000
-0.13235
33
-0.12960
0.00000
-0.06488
34
-0.12960
0.00000
0.06488