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)
0.59700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01208
0.00000
0.00725
2
0.01208
0.00000
-0.00725
3
-0.02167
0.00000
-0.02735
4
0.01529
0.00000
0.00037
5
-0.02167
0.00000
0.02735
6
0.01529
0.00000
-0.00037
7
0.07428
0.00000
0.02637
8
-0.05340
0.00000
0.01561
9
0.07428
0.00000
-0.02637
10
-0.05340
0.00000
-0.01561
11
-0.07466
0.00000
-0.01647
12
0.04453
0.00000
-0.01635
13
-0.07466
0.00000
0.01647
14
0.04452
0.00000
0.01634
15
0.02705
0.00000
-0.04123
16
-0.01564
0.00000
0.06949
17
0.02706
0.00000
0.04123
18
-0.01564
0.00000
-0.06948
19
-0.02224
0.00000
-0.01885
20
-0.02224
0.00000
0.01885
21
-0.00747
0.00000
0.07490
22
-0.00747
0.00000
-0.07490
23
0.03427
0.00000
0.12802
24
-0.01523
0.00000
-0.17526
25
0.03427
0.00000
-0.12802
26
-0.01523
0.00000
0.17525
27
0.13217
0.00000
0.11049
28
-0.04256
0.00000
-0.07732
29
0.13218
0.00000
-0.11050
30
-0.04256
0.00000
0.07732
31
0.08077
0.00000
-0.05970
32
0.08077
0.00000
0.05970
33
0.07081
0.00000
0.03475
34
0.07081
0.00000
-0.03475