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)
0.81500
Eigenvectors
#
X
Y
Z
1
0.00217
0.00000
-0.06402
2
-0.00217
0.00000
-0.06402
3
-0.01660
0.00000
-0.02655
4
-0.01913
0.00000
-0.02619
5
0.01660
0.00000
-0.02655
6
0.01913
0.00000
-0.02619
7
-0.04532
0.00000
0.02314
8
-0.03965
0.00000
0.03002
9
0.04532
0.00000
0.02314
10
0.03965
0.00000
0.03002
11
-0.04427
0.00000
0.07613
12
-0.03932
0.00000
0.05807
13
0.04427
0.00000
0.07613
14
0.03932
0.00000
0.05807
15
0.07846
0.00000
-0.00323
16
0.07549
0.00000
-0.01061
17
-0.07846
0.00000
-0.00323
18
-0.07549
0.00000
-0.01061
19
0.00138
0.00000
-0.01002
20
-0.00138
0.00000
-0.01003
21
0.00123
0.00000
-0.04441
22
-0.00123
0.00000
-0.04441
23
0.07879
0.00000
-0.05205
24
0.07713
0.00000
-0.05419
25
-0.07879
0.00000
-0.05205
26
-0.07713
0.00000
-0.05419
27
-0.10699
0.00000
0.04167
28
-0.10938
0.00000
0.01782
29
0.10699
0.00000
0.04167
30
0.10938
0.00000
0.01782
31
0.00163
0.00000
0.01000
32
-0.00163
0.00000
0.01000
33
0.03324
0.00000
0.00914
34
-0.03324
0.00000
0.00914