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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.10900
Eigenvectors
#
X
Y
Z
1
0.00739
0.00000
0.03101
2
-0.00739
0.00000
0.03101
3
-0.00154
0.00000
0.03866
4
-0.01657
0.00000
0.05110
5
0.00154
0.00000
0.03866
6
0.01657
0.00000
0.05110
7
-0.01540
0.00000
0.02907
8
-0.08543
0.00000
0.01648
9
0.01540
0.00000
0.02907
10
0.08543
0.00000
0.01648
11
-0.02311
0.00000
-0.01809
12
-0.09718
0.00000
-0.04265
13
0.02311
0.00000
-0.01809
14
0.09718
0.00000
-0.04265
15
-0.00496
0.00000
-0.03518
16
-0.06333
0.00000
-0.05965
17
0.00496
0.00000
-0.03518
18
0.06333
0.00000
-0.05965
19
-0.00404
0.00000
0.02892
20
0.00404
0.00000
0.02892
21
0.01312
0.00000
-0.02569
22
-0.01312
0.00000
-0.02569
23
-0.00517
0.00000
-0.04697
24
-0.06263
0.00000
-0.10046
25
0.00517
0.00000
-0.04697
26
0.06263
0.00000
-0.10046
27
-0.05271
0.00000
-0.03405
28
-0.12824
0.00000
-0.06057
29
0.05271
0.00000
-0.03405
30
0.12824
0.00000
-0.06057
31
-0.12663
0.00000
0.04154
32
0.12663
0.00000
0.04154
33
0.00428
0.00000
0.03428
34
-0.00428
0.00000
0.03429