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)
-0.04600
Eigenvectors
#
X
Y
Z
1
-0.05901
0.00000
0.02024
2
0.05901
0.00000
0.02024
3
-0.01756
0.00000
-0.01095
4
0.01173
0.00000
0.05468
5
0.01756
0.00000
-0.01094
6
-0.01173
0.00000
0.05468
7
-0.04221
0.00000
-0.03227
8
0.00001
0.00000
0.05112
9
0.04222
0.00000
-0.03227
10
-0.00001
0.00000
0.05111
11
-0.05946
0.00000
-0.01777
12
0.00312
0.00000
0.01203
13
0.05946
0.00000
-0.01777
14
-0.00313
0.00000
0.01202
15
-0.09505
0.00000
-0.00140
16
0.05718
0.00000
-0.01687
17
0.09505
0.00000
-0.00140
18
-0.05719
0.00000
-0.01688
19
-0.00312
0.00000
-0.05656
20
0.00312
0.00000
-0.05656
21
-0.08321
0.00000
0.00144
22
0.08321
0.00000
0.00145
23
-0.09547
0.00000
0.01280
24
0.05818
0.00000
-0.05803
25
0.09547
0.00000
0.01280
26
-0.05819
0.00000
-0.05803
27
-0.03518
0.00000
-0.00372
28
-0.03715
0.00000
-0.01187
29
0.03519
0.00000
-0.00371
30
0.03715
0.00000
-0.01188
31
-0.01169
0.00000
0.05734
32
0.01168
0.00000
0.05733
33
0.02391
0.00000
-0.04036
34
-0.02391
0.00000
-0.04036