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)
0.92000
Diff mu Y
(Debye)
0.97300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00750
0.01944
0.00000
2
-0.00750
0.01944
0.00000
3
-0.03312
-0.00213
0.00000
4
0.02363
0.00472
0.00000
5
0.02363
0.00472
0.00000
6
-0.03312
-0.00213
0.00000
7
-0.02811
-0.03740
0.00000
8
0.01840
-0.00804
0.00000
9
0.01840
-0.00804
0.00000
10
-0.02811
-0.03740
0.00000
11
-0.00680
-0.02603
0.00000
12
-0.00389
0.00904
0.00000
13
-0.00389
0.00904
0.00000
14
-0.00680
-0.02603
0.00000
15
0.01239
0.00421
0.00000
16
0.01239
0.00421
0.00000
17
-0.07906
0.01654
0.00000
18
-0.07906
0.01654
0.00000
19
0.02177
0.06549
0.00000
20
0.02177
0.06549
0.00000
21
0.09100
-0.02961
0.00000
22
0.09100
-0.02961
0.00000
23
0.07495
0.05546
0.00000
24
0.07495
0.05546
0.00000
25
-0.28260
-0.15012
0.00000
26
-0.28260
-0.15012
0.00000
27
-0.02867
0.08891
0.00000
28
-0.02867
0.08891
0.00000
29
-0.00228
-0.01299
0.00000
30
-0.00228
-0.01299
0.00000
31
0.00491
0.04046
0.00000
32
0.00491
0.04046
0.00000
33
0.13001
-0.21507
0.00000
34
0.13001
-0.21507
0.00000