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)
-0.86000
Eigenvectors
#
X
Y
Z
1
-0.06003
0.00000
0.03200
2
0.06003
0.00000
0.03200
3
-0.01120
0.00000
0.01005
4
0.02492
0.00000
-0.04078
5
0.01119
0.00000
0.01005
6
-0.02492
0.00000
-0.04078
7
0.03869
0.00000
0.01319
8
0.03975
0.00000
0.00762
9
-0.03869
0.00000
0.01320
10
-0.03975
0.00000
0.00762
11
-0.00180
0.00000
0.00785
12
-0.03411
0.00000
-0.00686
13
0.00180
0.00000
0.00785
14
0.03411
0.00000
-0.00686
15
0.00741
0.00000
-0.01462
16
-0.00129
0.00000
0.01000
17
-0.00741
0.00000
-0.01462
18
0.00129
0.00000
0.01000
19
0.00687
0.00000
-0.01280
20
-0.00687
0.00000
-0.01280
21
0.00389
0.00000
0.03545
22
-0.00389
0.00000
0.03544
23
0.00682
0.00000
-0.24279
24
-0.00198
0.00000
0.11747
25
-0.00682
0.00000
-0.24279
26
0.00198
0.00000
0.11746
27
-0.03135
0.00000
-0.00800
28
-0.39130
0.00000
-0.21940
29
0.03135
0.00000
-0.00800
30
0.39130
0.00000
-0.21941
31
0.21607
0.00000
-0.08543
32
-0.21608
0.00000
-0.08543
33
-0.05257
0.00000
-0.05134
34
0.05258
0.00000
-0.05135