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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.42500
Eigenvectors
#
X
Y
Z
1
-0.02655
0.00000
0.02251
2
0.02655
0.00000
0.02252
3
-0.09974
0.00000
-0.02449
4
-0.00764
0.00000
0.00684
5
0.09975
0.00000
-0.02449
6
0.00764
0.00000
0.00684
7
0.01954
0.00000
0.02872
8
0.03486
0.00000
-0.02886
9
-0.01954
0.00000
0.02872
10
-0.03486
0.00000
-0.02886
11
-0.01055
0.00000
-0.00886
12
0.00707
0.00000
0.00994
13
0.01056
0.00000
-0.00886
14
-0.00707
0.00000
0.00994
15
-0.02250
0.00000
-0.00135
16
0.01424
0.00000
0.04344
17
0.02250
0.00000
-0.00135
18
-0.01424
0.00000
0.04343
19
0.02675
0.00000
-0.00557
20
-0.02675
0.00000
-0.00557
21
0.08402
0.00000
-0.03277
22
-0.08402
0.00000
-0.03277
23
-0.02262
0.00000
0.14832
24
0.01890
0.00000
-0.27483
25
0.02262
0.00000
0.14832
26
-0.01890
0.00000
-0.27483
27
0.06424
0.00000
0.03690
28
-0.12651
0.00000
-0.07056
29
-0.06424
0.00000
0.03690
30
0.12651
0.00000
-0.07056
31
-0.19544
0.00000
0.09380
32
0.19544
0.00000
0.09380
33
-0.03582
0.00000
-0.04724
34
0.03583
0.00000
-0.04724