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)
-0.61900
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07185
0.00000
0.04282
2
-0.07185
0.00000
-0.04282
3
0.01230
0.00000
-0.02322
4
0.04410
0.00000
-0.03609
5
0.01230
0.00000
0.02322
6
0.04410
0.00000
0.03609
7
0.00215
0.00000
-0.04543
8
-0.00578
0.00000
0.01536
9
0.00215
0.00000
0.04543
10
-0.00578
0.00000
-0.01536
11
-0.00929
0.00000
0.00755
12
0.01132
0.00000
0.02904
13
-0.00929
0.00000
-0.00755
14
0.01132
0.00000
-0.02904
15
0.03695
0.00000
-0.01345
16
0.00664
0.00000
-0.01187
17
0.03695
0.00000
0.01345
18
0.00664
0.00000
0.01186
19
-0.00166
0.00000
0.02208
20
-0.00166
0.00000
-0.02208
21
-0.02536
0.00000
0.04064
22
-0.02536
0.00000
-0.04064
23
0.03944
0.00000
-0.22631
24
0.00705
0.00000
-0.14026
25
0.03944
0.00000
0.22632
26
0.00705
0.00000
0.14026
27
0.00367
0.00000
0.01420
28
0.19155
0.00000
0.14049
29
0.00367
0.00000
-0.01420
30
0.19155
0.00000
-0.14048
31
-0.31278
0.00000
0.18226
32
-0.31278
0.00000
-0.18226
33
0.07692
0.00000
0.07034
34
0.07692
0.00000
-0.07034