Charge: 0
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
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.39600
Eigenvectors
#
X
Y
Z
1
-0.05438
0.00000
-0.02407
2
0.05438
0.00000
-0.02407
3
0.01978
0.00000
-0.03209
4
0.01164
0.00000
0.03449
5
-0.01978
0.00000
-0.03210
6
-0.01164
0.00000
0.03449
7
-0.02528
0.00000
0.07234
8
-0.03890
0.00000
-0.00290
9
0.02529
0.00000
0.07234
10
0.03890
0.00000
-0.00290
11
0.01052
0.00000
-0.03540
12
0.03727
0.00000
0.01016
13
-0.01052
0.00000
-0.03540
14
-0.03727
0.00000
0.01016
15
-0.02280
0.00000
0.03092
16
0.02101
0.00000
-0.02608
17
0.02280
0.00000
0.03092
18
-0.02101
0.00000
-0.02608
19
-0.04957
0.00000
-0.02526
20
0.04957
0.00000
-0.02526
21
0.11191
0.00000
0.02027
22
-0.11191
0.00000
0.02027
23
-0.01959
0.00000
0.05469
24
0.02457
0.00000
-0.17276
25
0.01959
0.00000
0.05469
26
-0.02457
0.00000
-0.17276
27
0.06962
0.00000
-0.00386
28
-0.01926
0.00000
-0.02713
29
-0.06963
0.00000
-0.00386
30
0.01926
0.00000
-0.02713
31
0.15835
0.00000
-0.10916
32
-0.15835
0.00000
-0.10916
33
-0.02461
0.00000
-0.00827
34
0.02461
0.00000
-0.00827