Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+1
Electronic States
Energy
(eV)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-1.23500
Diff mu Y
(Debye)
0.45300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.03452
0.03958
0.00000
2
0.03452
0.03958
0.00000
3
-0.02384
-0.04770
0.00000
4
-0.00022
0.10070
0.00000
5
-0.00022
0.10070
0.00000
6
-0.02384
-0.04770
0.00000
7
-0.02112
-0.08950
0.00000
8
-0.03862
-0.00596
0.00000
9
-0.03862
-0.00596
0.00000
10
-0.02112
-0.08950
0.00000
11
0.00136
-0.00738
0.00000
12
0.00507
0.00113
0.00000
13
0.00507
0.00113
0.00000
14
0.00136
-0.00738
0.00000
15
0.01536
-0.01562
0.00000
16
0.01536
-0.01562
0.00000
17
0.00862
0.01073
0.00000
18
0.00862
0.01073
0.00000
19
-0.00091
0.00817
0.00000
20
-0.00091
0.00817
0.00000
21
0.02965
0.00958
0.00000
22
0.02965
0.00958
0.00000
23
-0.10166
-0.11557
0.00000
24
-0.10166
-0.11557
0.00000
25
0.01136
0.01552
0.00000
26
0.01136
0.01552
0.00000
27
-0.02410
0.01902
0.00000
28
-0.02410
0.01902
0.00000
29
0.02963
-0.10109
0.00000
30
0.02963
-0.10109
0.00000
31
-0.01320
-0.17851
0.00000
32
-0.01320
-0.17851
0.00000
33
-0.01944
0.31616
0.00000
34
-0.01944
0.31616
0.00000