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)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.00400
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-1.73100
Eigenvectors
#
X
Y
Z
1
0.00250
0.00000
-0.03964
2
-0.00227
0.00000
-0.03961
3
-0.07257
0.00000
0.00247
4
-0.12734
0.00000
0.02431
5
0.07251
0.00000
0.00268
6
0.12733
0.00000
0.02461
7
-0.02522
0.00000
0.04446
8
-0.01162
0.00000
0.01285
9
0.02516
0.00000
0.04436
10
0.01144
0.00000
0.01272
11
0.03447
0.00000
-0.01767
12
0.01705
0.00000
-0.03792
13
-0.03438
0.00000
-0.01772
14
-0.01688
0.00000
-0.03800
15
0.00561
0.00000
-0.00162
16
-0.00770
0.00000
0.02122
17
-0.00563
0.00000
-0.00153
18
0.00768
0.00000
0.02142
19
-0.00800
0.00000
-0.01349
20
0.00800
0.00000
-0.01347
21
-0.03425
0.00000
0.03850
22
0.03411
0.00000
0.03854
23
0.00647
0.00000
-0.19547
24
-0.00359
0.00000
-0.07140
25
-0.00649
0.00000
-0.19545
26
0.00355
0.00000
-0.07179
27
0.09782
0.00000
0.01502
28
0.07952
0.00000
-0.00695
29
-0.09775
0.00000
0.01498
30
-0.07943
0.00000
-0.00699
31
0.14120
0.00000
-0.07222
32
-0.14120
0.00000
-0.07225
33
-0.10369
0.00000
-0.07051
34
0.10364
0.00000
-0.07046