Charge: 1
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/q+1
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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00946
-0.01585
0.00000
2
-0.00947
0.01577
0.00000
3
0.06068
-0.02091
0.00000
4
0.03389
0.00727
0.00000
5
-0.03393
-0.00723
0.00000
6
-0.06065
0.02097
0.00000
7
-0.02855
-0.03249
0.00000
8
-0.00770
-0.00811
0.00000
9
0.00768
0.00812
0.00000
10
0.02862
0.03245
0.00000
11
-0.03816
0.06825
0.00000
12
-0.00128
0.03387
0.00000
13
0.00130
-0.03386
0.00000
14
0.03808
-0.06818
0.00000
15
0.02509
0.01939
0.00000
16
-0.02506
-0.01942
0.00000
17
-0.06661
-0.05711
0.00000
18
0.06659
0.05706
0.00000
19
0.06001
-0.01693
0.00000
20
-0.05998
0.01696
0.00000
21
-0.02723
0.07968
0.00000
22
0.02721
-0.07971
0.00000
23
0.06191
0.05381
0.00000
24
-0.06170
-0.05370
0.00000
25
0.08801
0.08368
0.00000
26
-0.08802
-0.08373
0.00000
27
0.08082
-0.02371
0.00000
28
-0.08084
0.02376
0.00000
29
-0.00573
-0.00660
0.00000
30
0.00579
0.00642
0.00000
31
-0.01434
0.12487
0.00000
32
0.01428
-0.12467
0.00000
33
0.02863
-0.19758
0.00000
34
-0.02866
0.19759
0.00000