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)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
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
0.02034
-0.02110
0.00000
2
-0.02034
0.02110
0.00000
3
0.07028
-0.04127
0.00000
4
0.01579
0.00529
0.00000
5
-0.01579
-0.00529
0.00000
6
-0.07028
0.04127
0.00000
7
-0.00563
0.01130
0.00000
8
-0.01821
-0.00191
0.00000
9
0.01821
0.00191
0.00000
10
0.00563
-0.01130
0.00000
11
0.00796
0.00803
0.00000
12
-0.00616
-0.00966
0.00000
13
0.00616
0.00966
0.00000
14
-0.00796
-0.00803
0.00000
15
-0.01834
-0.00065
0.00000
16
0.01834
0.00065
0.00000
17
0.00593
0.01931
0.00000
18
-0.00593
-0.01931
0.00000
19
-0.03000
0.00553
0.00000
20
0.03000
-0.00553
0.00000
21
0.00479
-0.01759
0.00000
22
-0.00479
0.01759
0.00000
23
-0.15581
-0.12344
0.00000
24
0.15581
0.12344
0.00000
25
0.17981
0.17420
0.00000
26
-0.17981
-0.17420
0.00000
27
-0.36539
0.11469
0.00000
28
0.36539
-0.11469
0.00000
29
-0.01734
0.12010
0.00000
30
0.01734
-0.12010
0.00000
31
0.02002
-0.00701
0.00000
32
-0.02002
0.00701
0.00000
33
0.06778
-0.31936
0.00000
34
-0.06778
0.31936
0.00000