Charge: 1
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+1
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
-0.01487
-0.01956
0.00000
2
0.01487
0.01956
0.00000
3
-0.00886
-0.04807
0.00000
4
0.02064
0.00206
0.00000
5
-0.02064
-0.00206
0.00000
6
0.00886
0.04807
0.00000
7
-0.00571
-0.05917
0.00000
8
0.01855
-0.01888
0.00000
9
-0.01855
0.01888
0.00000
10
0.00571
0.05917
0.00000
11
-0.01734
-0.06579
0.00000
12
0.03767
0.02759
0.00000
13
-0.03767
-0.02759
0.00000
14
0.01734
0.06579
0.00000
15
-0.02437
-0.03742
0.00000
16
0.02437
0.03742
0.00000
17
0.00556
-0.08377
0.00000
18
-0.00556
0.08377
0.00000
19
0.00592
-0.09489
0.00000
20
-0.00592
0.09489
0.00000
21
0.00621
-0.08296
0.00000
22
-0.00621
0.08296
0.00000
23
-0.00429
-0.02220
0.00000
24
0.00429
0.02220
0.00000
25
0.02070
-0.07239
0.00000
26
-0.02070
0.07239
0.00000
27
-0.00055
-0.09436
0.00000
28
0.00055
0.09436
0.00000
29
-0.03588
-0.03726
0.00000
30
0.03588
0.03726
0.00000
31
-0.01433
0.00187
0.00000
32
0.01433
-0.00187
0.00000
33
0.00619
-0.09032
0.00000
34
-0.00619
0.09032
0.00000