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)
-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)
0.37500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00063
0.00000
0.00012
2
0.00062
0.00000
-0.00012
3
-0.00009
0.00000
0.00007
4
0.00001
0.00000
0.00002
5
-0.00009
0.00000
-0.00007
6
0.00001
0.00000
-0.00002
7
-0.00041
0.00000
-0.00003
8
0.00093
0.00000
0.00233
9
-0.00041
0.00000
0.00003
10
0.00094
0.00000
-0.00233
11
0.00812
0.00000
-0.01187
12
0.00724
0.00000
-0.00851
13
0.00807
0.00000
0.01180
14
0.00728
0.00000
0.00856
15
-0.02636
0.00000
0.00051
16
-0.04936
0.00000
-0.00055
17
-0.02620
0.00000
-0.00050
18
-0.04965
0.00000
0.00055
19
-0.00226
0.00000
0.00402
20
-0.00226
0.00000
-0.00401
21
0.00103
0.00000
0.00083
22
0.00102
0.00000
-0.00083
23
0.30132
0.00000
-0.00464
24
0.55977
0.00000
0.00742
25
0.29951
0.00000
0.00461
26
0.56306
0.00000
-0.00746
27
-0.08478
0.00000
0.14268
28
-0.07040
0.00000
0.11324
29
-0.08430
0.00000
-0.14187
30
-0.07079
0.00000
-0.11388
31
-0.01274
0.00000
-0.02447
32
-0.01278
0.00000
0.02454
33
0.02755
0.00000
-0.04596
34
0.02751
0.00000
0.04590