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)
-0.10500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.06666
0.00000
0.03233
2
0.06664
0.00000
-0.03232
3
-0.00021
0.00000
-0.09698
4
-0.02610
0.00000
0.00228
5
-0.00014
0.00000
0.09695
6
-0.02612
0.00000
-0.00226
7
-0.04650
0.00000
0.05538
8
0.02198
0.00000
-0.01113
9
-0.04650
0.00000
-0.05536
10
0.02196
0.00000
0.01111
11
0.05006
0.00000
0.03559
12
0.00538
0.00000
-0.00769
13
0.05005
0.00000
-0.03558
14
0.00539
0.00000
0.00769
15
-0.01665
0.00000
-0.05102
16
0.00510
0.00000
0.04048
17
-0.01663
0.00000
0.05100
18
0.00510
0.00000
-0.04046
19
0.02065
0.00000
0.01153
20
0.02062
0.00000
-0.01153
21
-0.05071
0.00000
0.01847
22
-0.05073
0.00000
-0.01848
23
-0.02126
0.00000
-0.01527
24
0.00878
0.00000
-0.20574
25
-0.02124
0.00000
0.01531
26
0.00877
0.00000
0.20567
27
-0.01195
0.00000
0.00647
28
-0.06793
0.00000
-0.05263
29
-0.01193
0.00000
-0.00647
30
-0.06788
0.00000
0.05260
31
-0.08864
0.00000
0.04467
32
-0.08859
0.00000
-0.04466
33
-0.17208
0.00000
-0.09854
34
-0.17202
0.00000
0.09847