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)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.29700
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03453
0.00000
-0.00926
2
-0.03453
0.00000
0.00926
3
0.04822
0.00000
-0.03574
4
0.04710
0.00000
-0.01462
5
0.04822
0.00000
0.03574
6
0.04710
0.00000
0.01462
7
-0.00507
0.00000
-0.00406
8
0.01168
0.00000
-0.01030
9
-0.00507
0.00000
0.00406
10
0.01168
0.00000
0.01030
11
-0.02478
0.00000
-0.00659
12
-0.03633
0.00000
0.01603
13
-0.02478
0.00000
0.00659
14
-0.03633
0.00000
-0.01603
15
0.05118
0.00000
-0.00014
16
0.03895
0.00000
-0.00504
17
0.05118
0.00000
0.00014
18
0.03895
0.00000
0.00504
19
0.00037
0.00000
0.00198
20
0.00037
0.00000
-0.00198
21
-0.06516
0.00000
0.02573
22
-0.06516
0.00000
-0.02573
23
0.05410
0.00000
0.16035
24
0.03751
0.00000
0.10137
25
0.05409
0.00000
-0.16035
26
0.03751
0.00000
-0.10137
27
-0.31825
0.00000
-0.17148
28
-0.27053
0.00000
-0.12039
29
-0.31825
0.00000
0.17149
30
-0.27053
0.00000
0.12039
31
0.09367
0.00000
-0.05047
32
0.09367
0.00000
0.05047
33
0.02692
0.00000
0.01711
34
0.02692
0.00000
-0.01711