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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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
0.02227
0.03838
0.00000
2
-0.02227
-0.03838
0.00000
3
0.00726
0.05515
0.00000
4
0.00700
-0.00431
0.00000
5
-0.00700
0.00431
0.00000
6
-0.00726
-0.05515
0.00000
7
-0.01978
-0.00398
0.00000
8
0.02967
0.01011
0.00000
9
-0.02967
-0.01011
0.00000
10
0.01978
0.00398
0.00000
11
-0.02132
-0.01463
0.00000
12
-0.01912
-0.01269
0.00000
13
0.01912
0.01269
0.00000
14
0.02132
0.01463
0.00000
15
0.00668
-0.01266
0.00000
16
-0.00668
0.01266
0.00000
17
-0.05997
-0.02081
0.00000
18
0.05997
0.02081
0.00000
19
0.02850
0.06225
0.00000
20
-0.02850
-0.06225
0.00000
21
0.03763
-0.04862
0.00000
22
-0.03763
0.04862
0.00000
23
-0.00234
-0.02062
0.00000
24
0.00234
0.02062
0.00000
25
-0.26668
-0.18843
0.00000
26
0.26668
0.18843
0.00000
27
-0.00957
0.08160
0.00000
28
0.00957
-0.08160
0.00000
29
0.00619
0.09252
0.00000
30
-0.00619
-0.09252
0.00000
31
-0.02282
-0.05424
0.00000
32
0.02282
0.05424
0.00000
33
0.09515
-0.34364
0.00000
34
-0.09515
0.34364
0.00000