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)
-0.08600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00086
0.00000
0.00248
2
0.00086
0.00000
-0.00248
3
0.01784
0.00000
-0.00975
4
-0.01342
0.00000
0.01082
5
0.01784
0.00000
0.00975
6
-0.01342
0.00000
-0.01082
7
0.00371
0.00000
-0.01957
8
0.00133
0.00000
0.02418
9
0.00371
0.00000
0.01957
10
0.00133
0.00000
-0.02418
11
-0.06046
0.00000
-0.05411
12
0.01120
0.00000
-0.02972
13
-0.06046
0.00000
0.05411
14
0.01120
0.00000
0.02972
15
-0.10312
0.00000
-0.03823
16
0.03880
0.00000
-0.03675
17
-0.10312
0.00000
0.03823
18
0.03879
0.00000
0.03675
19
0.10771
0.00000
-0.03256
20
0.10771
0.00000
0.03256
21
-0.00113
0.00000
0.02462
22
-0.00113
0.00000
-0.02462
23
-0.10354
0.00000
-0.08790
24
0.03956
0.00000
-0.03610
25
-0.10354
0.00000
0.08790
26
0.03956
0.00000
0.03610
27
-0.05402
0.00000
-0.04881
28
-0.03593
0.00000
-0.05824
29
-0.05402
0.00000
0.04881
30
-0.03593
0.00000
0.05825
31
-0.01441
0.00000
0.03198
32
-0.01441
0.00000
-0.03198
33
0.12876
0.00000
-0.01943
34
0.12877
0.00000
0.01943