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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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)
1.47900
Diff mu Y
(Debye)
1.92800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02265
-0.01172
0.00000
2
-0.02265
-0.01172
0.00000
3
0.02777
-0.01136
0.00000
4
-0.00288
0.04316
0.00000
5
-0.00288
0.04316
0.00000
6
0.02777
-0.01136
0.00000
7
-0.00661
0.02263
0.00000
8
-0.00159
-0.00554
0.00000
9
-0.00159
-0.00554
0.00000
10
-0.00661
0.02263
0.00000
11
0.01385
0.01240
0.00000
12
0.00449
-0.02556
0.00000
13
0.00449
-0.02556
0.00000
14
0.01385
0.01240
0.00000
15
0.00677
0.01626
0.00000
16
0.00677
0.01626
0.00000
17
0.00744
0.01873
0.00000
18
0.00744
0.01873
0.00000
19
-0.03488
0.01106
0.00000
20
-0.03488
0.01106
0.00000
21
0.01493
-0.02682
0.00000
22
0.01493
-0.02682
0.00000
23
0.02245
0.02957
0.00000
24
0.02245
0.02957
0.00000
25
0.10889
0.10670
0.00000
26
0.10889
0.10670
0.00000
27
-0.36786
0.11808
0.00000
28
-0.36786
0.11808
0.00000
29
0.05276
-0.27027
0.00000
30
0.05276
-0.27027
0.00000
31
0.02385
-0.15135
0.00000
32
0.02385
-0.15135
0.00000
33
0.08067
-0.34763
0.00000
34
0.08067
-0.34763
0.00000