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)
0.18600
Diff mu Y
(Debye)
-1.80700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.06858
-0.07771
0.00000
2
-0.06858
-0.07771
0.00000
3
0.04965
0.07886
0.00000
4
0.07384
0.05827
0.00000
5
0.07384
0.05827
0.00000
6
0.04965
0.07886
0.00000
7
-0.01267
-0.02736
0.00000
8
-0.01760
-0.03844
0.00000
9
-0.01760
-0.03844
0.00000
10
-0.01267
-0.02736
0.00000
11
-0.01579
0.01985
0.00000
12
-0.00180
0.04880
0.00000
13
-0.00180
0.04880
0.00000
14
-0.01579
0.01985
0.00000
15
-0.01322
-0.05646
0.00000
16
-0.01322
-0.05646
0.00000
17
-0.02251
-0.02998
0.00000
18
-0.02251
-0.02998
0.00000
19
0.02642
0.01238
0.00000
20
0.02642
0.01238
0.00000
21
-0.00865
0.00250
0.00000
22
-0.00865
0.00250
0.00000
23
0.10454
0.03608
0.00000
24
0.10454
0.03608
0.00000
25
0.05586
0.03785
0.00000
26
0.05586
0.03785
0.00000
27
-0.00661
0.02616
0.00000
28
-0.00661
0.02616
0.00000
29
0.02004
-0.03215
0.00000
30
0.02004
-0.03215
0.00000
31
-0.02603
-0.01437
0.00000
32
-0.02603
-0.01437
0.00000
33
-0.01805
0.05707
0.00000
34
-0.01805
0.05707
0.00000