Charge: 0
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
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 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)
-1.44300
Diff mu Y
(Debye)
0.55200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00031
0.00007
0.00000
2
-0.00031
0.00007
0.00000
3
-0.00039
0.00017
0.00000
4
-0.00053
0.00138
0.00000
5
-0.00054
0.00138
0.00000
6
-0.00039
0.00017
0.00000
7
-0.00012
-0.00030
0.00000
8
0.00390
0.00073
0.00000
9
0.00390
0.00073
0.00000
10
-0.00012
-0.00030
0.00000
11
-0.00126
-0.00077
0.00000
12
0.04090
0.01149
0.00000
13
0.04092
0.01150
0.00000
14
-0.00126
-0.00077
0.00000
15
0.02576
-0.03371
0.00000
16
0.02575
-0.03369
0.00000
17
0.00318
-0.00370
0.00000
18
0.00318
-0.00370
0.00000
19
0.00084
0.00359
0.00000
20
0.00084
0.00359
0.00000
21
0.00499
0.00099
0.00000
22
0.00499
0.00099
0.00000
23
-0.30790
0.35483
0.00000
24
-0.30771
0.35460
0.00000
25
-0.03640
0.04413
0.00000
26
-0.03640
0.04412
0.00000
27
-0.01185
-0.03877
0.00000
28
-0.01183
-0.03872
0.00000
29
-0.46011
-0.09901
0.00000
30
-0.45982
-0.09894
0.00000
31
-0.04430
-0.01077
0.00000
32
-0.04427
-0.01077
0.00000
33
-0.05603
-0.01181
0.00000
34
-0.05601
-0.01181
0.00000