Charge: 2
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+2
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 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)
-0.21200
Diff mu Y
(Debye)
0.03700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00036
0.00007
0.00000
2
0.00036
0.00007
0.00000
3
0.00018
0.00037
0.00000
4
-0.00004
0.00071
0.00000
5
-0.00004
0.00071
0.00000
6
0.00018
0.00037
0.00000
7
0.00001
-0.00013
0.00000
8
-0.02226
-0.00483
0.00000
9
-0.02226
-0.00483
0.00000
10
0.00001
-0.00013
0.00000
11
0.00061
0.00038
0.00000
12
-0.01043
-0.00208
0.00000
13
-0.01043
-0.00208
0.00000
14
0.00061
0.00038
0.00000
15
0.00661
-0.00718
0.00000
16
0.00661
-0.00718
0.00000
17
0.01855
-0.02218
0.00000
18
0.01855
-0.02218
0.00000
19
0.00962
0.02991
0.00000
20
0.00962
0.02991
0.00000
21
-0.02640
-0.00606
0.00000
22
-0.02640
-0.00606
0.00000
23
-0.07745
0.08608
0.00000
24
-0.07746
0.08608
0.00000
25
-0.22297
0.25660
0.00000
26
-0.22295
0.25658
0.00000
27
-0.11603
-0.35704
0.00000
28
-0.11602
-0.35700
0.00000
29
0.12212
0.02453
0.00000
30
0.12211
0.02453
0.00000
31
0.25777
0.05362
0.00000
32
0.25780
0.05363
0.00000
33
0.31261
0.06749
0.00000
34
0.31258
0.06748
0.00000