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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-1.60300
Diff mu Y
(Debye)
-1.14100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02522
-0.01106
0.00000
2
0.02522
-0.01107
0.00000
3
-0.06877
0.01846
0.00000
4
-0.03465
0.05284
0.00000
5
-0.03465
0.05283
0.00000
6
-0.06877
0.01846
0.00000
7
0.02654
0.03435
0.00000
8
0.01023
-0.04615
0.00000
9
0.01023
-0.04615
0.00000
10
0.02654
0.03436
0.00000
11
0.08331
-0.01310
0.00000
12
0.02371
-0.05042
0.00000
13
0.02370
-0.05041
0.00000
14
0.08332
-0.01310
0.00000
15
-0.03302
0.01232
0.00000
16
-0.03302
0.01232
0.00000
17
-0.07128
-0.02688
0.00000
18
-0.07129
-0.02689
0.00000
19
0.06420
0.00343
0.00000
20
0.06421
0.00344
0.00000
21
-0.02082
-0.01539
0.00000
22
-0.02082
-0.01540
0.00000
23
-0.00422
0.04446
0.00000
24
-0.00423
0.04446
0.00000
25
0.09688
0.12813
0.00000
26
0.09690
0.12815
0.00000
27
-0.08119
0.05614
0.00000
28
-0.08120
0.05615
0.00000
29
-0.00660
0.10636
0.00000
30
-0.00660
0.10638
0.00000
31
-0.02475
0.12355
0.00000
32
-0.02475
0.12354
0.00000
33
-0.03556
0.03674
0.00000
34
-0.03556
0.03676
0.00000