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)
-844.32045
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)
0.28900
Diff mu Y
(Debye)
-0.22500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00012
0.00012
0.00000
2
0.00012
0.00012
0.00000
3
-0.00003
0.00004
0.00000
4
-0.00022
0.00288
0.00000
5
-0.00022
0.00288
0.00000
6
-0.00003
0.00004
0.00000
7
0.00073
-0.00261
0.00000
8
-0.04306
-0.00796
0.00000
9
-0.04306
-0.00796
0.00000
10
0.00073
-0.00261
0.00000
11
0.00051
0.00073
0.00000
12
0.02745
0.00490
0.00000
13
0.02745
0.00490
0.00000
14
0.00051
0.00073
0.00000
15
-0.00992
0.00992
0.00000
16
-0.00992
0.00992
0.00000
17
0.00889
-0.01054
0.00000
18
0.00889
-0.01054
0.00000
19
-0.00220
-0.00129
0.00000
20
-0.00220
-0.00129
0.00000
21
0.01877
0.00382
0.00000
22
0.01877
0.00382
0.00000
23
0.11114
-0.13041
0.00000
24
0.11114
-0.13041
0.00000
25
-0.10029
0.11790
0.00000
26
-0.10029
0.11790
0.00000
27
0.00962
0.02225
0.00000
28
0.00962
0.02225
0.00000
29
-0.31384
-0.05722
0.00000
30
-0.31384
-0.05722
0.00000
31
0.49376
0.09058
0.00000
32
0.49376
0.09058
0.00000
33
-0.21267
-0.04317
0.00000
34
-0.21267
-0.04317
0.00000