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)
-0.00100
Diff mu Y
(Debye)
0.00100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00005
0.00009
0.00000
2
-0.00005
-0.00009
0.00000
3
0.00012
0.00022
0.00000
4
-0.00007
0.00200
0.00000
5
0.00007
-0.00198
0.00000
6
-0.00011
-0.00022
0.00000
7
0.00031
-0.00130
0.00000
8
-0.02916
-0.00638
0.00000
9
0.02884
0.00631
0.00000
10
-0.00031
0.00128
0.00000
11
-0.00062
-0.00080
0.00000
12
0.03413
0.00679
0.00000
13
-0.03378
-0.00672
0.00000
14
0.00062
0.00081
0.00000
15
0.02171
-0.02390
0.00000
16
-0.02193
0.02414
0.00000
17
-0.00540
0.00634
0.00000
18
0.00543
-0.00637
0.00000
19
-0.00178
-0.00560
0.00000
20
0.00178
0.00560
0.00000
21
0.00733
0.00162
0.00000
22
-0.00728
-0.00161
0.00000
23
-0.25360
0.28942
0.00000
24
0.25623
-0.29243
0.00000
25
0.06451
-0.07185
0.00000
26
-0.06485
0.07222
0.00000
27
0.02269
0.07011
0.00000
28
-0.02268
-0.07008
0.00000
29
0.39868
0.08461
0.00000
30
-0.40281
-0.08548
0.00000
31
-0.33307
-0.06909
0.00000
32
0.33672
0.06985
0.00000
33
-0.08567
-0.01698
0.00000
34
0.08518
0.01689
0.00000