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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04693
0.05655
0.00000
2
0.04693
-0.05655
0.00000
3
0.02150
-0.00723
0.00000
4
-0.01607
0.07166
0.00000
5
0.01607
-0.07167
0.00000
6
-0.02149
0.00724
0.00000
7
-0.02436
0.02763
0.00000
8
0.01548
-0.09239
0.00000
9
-0.01548
0.09240
0.00000
10
0.02435
-0.02764
0.00000
11
-0.03432
-0.05486
0.00000
12
0.02081
0.03541
0.00000
13
-0.02081
-0.03540
0.00000
14
0.03431
0.05485
0.00000
15
0.04363
0.06391
0.00000
16
-0.04363
-0.06391
0.00000
17
0.01464
0.04206
0.00000
18
-0.01463
-0.04205
0.00000
19
0.02637
-0.02927
0.00000
20
-0.02638
0.02927
0.00000
21
-0.01663
0.02647
0.00000
22
0.01663
-0.02647
0.00000
23
-0.09944
-0.05467
0.00000
24
0.09944
0.05467
0.00000
25
-0.07649
-0.03258
0.00000
26
0.07647
0.03256
0.00000
27
-0.07184
-0.00040
0.00000
28
0.07185
0.00039
0.00000
29
-0.03436
-0.00557
0.00000
30
0.03436
0.00555
0.00000
31
0.03629
-0.13326
0.00000
32
-0.03628
0.13323
0.00000
33
-0.01051
-0.02292
0.00000
34
0.01051
0.02291
0.00000