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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.58700
Eigenvectors
#
X
Y
Z
1
-0.01913
0.00000
-0.03713
2
0.01913
0.00000
-0.03713
3
-0.00149
0.00000
-0.03785
4
-0.00883
0.00000
-0.03789
5
0.00149
0.00000
-0.03785
6
0.00883
0.00000
-0.03789
7
0.01584
0.00000
0.00302
8
-0.03602
0.00000
-0.02736
9
-0.01583
0.00000
0.00301
10
0.03602
0.00000
-0.02736
11
-0.00171
0.00000
-0.07029
12
-0.04692
0.00000
0.08968
13
0.00171
0.00000
-0.07029
14
0.04692
0.00000
0.08968
15
-0.05758
0.00000
-0.03507
16
0.00338
0.00000
0.04923
17
0.05758
0.00000
-0.03508
18
-0.00338
0.00000
0.04923
19
-0.00864
0.00000
0.09385
20
0.00863
0.00000
0.09385
21
-0.02497
0.00000
0.00841
22
0.02497
0.00000
0.00841
23
-0.05827
0.00000
-0.03012
24
0.00278
0.00000
0.00122
25
0.05827
0.00000
-0.03013
26
-0.00278
0.00000
0.00122
27
-0.00883
0.00000
-0.07511
28
-0.01818
0.00000
0.10982
29
0.00883
0.00000
-0.07512
30
0.01819
0.00000
0.10981
31
0.02826
0.00000
-0.06039
32
-0.02826
0.00000
-0.06039
33
-0.05333
0.00000
0.07142
34
0.05332
0.00000
0.07142