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)
-0.04500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.21000
Eigenvectors
#
X
Y
Z
1
-0.06336
0.00000
0.01498
2
0.06038
0.00000
0.00491
3
0.07630
0.00000
0.00293
4
-0.02575
0.00000
-0.01115
5
-0.07574
0.00000
0.00350
6
0.02379
0.00000
-0.02728
7
-0.06417
0.00000
-0.01868
8
0.02335
0.00000
0.00904
9
0.05927
0.00000
-0.01362
10
-0.01926
0.00000
0.01931
11
0.05843
0.00000
0.04756
12
-0.04385
0.00000
-0.03920
13
-0.05101
0.00000
0.04114
14
0.05135
0.00000
-0.05288
15
-0.03327
0.00000
-0.03950
16
0.02192
0.00000
0.05145
17
0.02925
0.00000
-0.03656
18
-0.02509
0.00000
0.07244
19
0.06598
0.00000
0.01909
20
-0.06386
0.00000
0.01565
21
0.04142
0.00000
-0.02957
22
-0.04022
0.00000
-0.01735
23
-0.03837
0.00000
0.04412
24
0.02613
0.00000
-0.07575
25
0.03337
0.00000
0.04506
26
-0.03083
0.00000
-0.10482
27
-0.09313
0.00000
-0.03141
28
0.06577
0.00000
0.02204
29
0.07892
0.00000
-0.02646
30
-0.08625
0.00000
0.02338
31
0.01245
0.00000
0.01505
32
-0.03093
0.00000
0.01424
33
-0.06590
0.00000
-0.06006
34
0.05890
0.00000
-0.05844