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)
0.39600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00020
0.00000
-0.00019
2
0.00020
0.00000
0.00019
3
0.00038
0.00000
-0.00028
4
-0.00002
0.00000
-0.00008
5
0.00038
0.00000
0.00028
6
-0.00002
0.00000
0.00008
7
0.00217
0.00000
0.00010
8
0.00026
0.00000
0.00043
9
0.00217
0.00000
-0.00010
10
0.00026
0.00000
-0.00043
11
-0.02653
0.00000
0.04716
12
0.00040
0.00000
-0.00075
13
-0.02654
0.00000
-0.04718
14
0.00040
0.00000
0.00075
15
-0.02568
0.00000
-0.00181
16
-0.00161
0.00000
0.00006
17
-0.02569
0.00000
0.00181
18
-0.00161
0.00000
-0.00006
19
-0.00330
0.00000
0.00589
20
-0.00330
0.00000
-0.00588
21
0.00043
0.00000
-0.00111
22
0.00043
0.00000
0.00111
23
0.28042
0.00000
-0.00044
24
0.01844
0.00000
-0.00043
25
0.28053
0.00000
0.00044
26
0.01840
0.00000
0.00043
27
0.30592
0.00000
-0.52343
28
-0.00495
0.00000
0.00793
29
0.30603
0.00000
0.52362
30
-0.00497
0.00000
-0.00797
31
-0.00252
0.00000
-0.00486
32
-0.00252
0.00000
0.00487
33
0.03740
0.00000
-0.06683
34
0.03736
0.00000
0.06677