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)
-0.09900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00331
0.00000
0.08301
2
0.00331
0.00000
-0.08301
3
0.07390
0.00000
0.04116
4
-0.08438
0.00000
-0.04046
5
0.07390
0.00000
-0.04116
6
-0.08438
0.00000
0.04047
7
0.01710
0.00000
0.01065
8
-0.02109
0.00000
0.00657
9
0.01710
0.00000
-0.01065
10
-0.02109
0.00000
-0.00657
11
0.01398
0.00000
-0.01502
12
-0.00553
0.00000
0.07098
13
0.01398
0.00000
0.01502
14
-0.00553
0.00000
-0.07098
15
-0.02914
0.00000
0.01186
16
0.06897
0.00000
0.02152
17
-0.02915
0.00000
-0.01186
18
0.06897
0.00000
-0.02152
19
-0.05195
0.00000
0.02552
20
-0.05195
0.00000
-0.02552
21
0.00872
0.00000
0.03109
22
0.00872
0.00000
-0.03109
23
-0.02914
0.00000
0.02866
24
0.06941
0.00000
0.00533
25
-0.02914
0.00000
-0.02866
26
0.06941
0.00000
-0.00533
27
0.03837
0.00000
-0.00076
28
-0.03147
0.00000
0.05584
29
0.03837
0.00000
0.00076
30
-0.03147
0.00000
-0.05584
31
0.07251
0.00000
-0.04298
32
0.07251
0.00000
0.04298
33
-0.04709
0.00000
0.02851
34
-0.04709
0.00000
-0.02851