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)
-0.25300
Diff mu Y
(Debye)
0.09700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.04848
0.01465
0.00000
2
-0.04848
0.01465
0.00000
3
0.00107
-0.01348
0.00000
4
0.03532
-0.01662
0.00000
5
0.03532
-0.01662
0.00000
6
0.00107
-0.01348
0.00000
7
-0.01618
-0.00640
0.00000
8
-0.01133
-0.00291
0.00000
9
-0.01133
-0.00291
0.00000
10
-0.01618
-0.00640
0.00000
11
0.05594
-0.01005
0.00000
12
-0.02650
-0.04203
0.00000
13
-0.02650
-0.04203
0.00000
14
0.05594
-0.01005
0.00000
15
-0.01180
0.05569
0.00000
16
-0.01180
0.05569
0.00000
17
0.00833
0.02351
0.00000
18
0.00833
0.02351
0.00000
19
-0.02213
-0.02275
0.00000
20
-0.02213
-0.02275
0.00000
21
0.01725
0.01327
0.00000
22
0.01725
0.01327
0.00000
23
0.19809
0.23903
0.00000
24
0.19809
0.23903
0.00000
25
0.03904
0.04683
0.00000
26
0.03904
0.04683
0.00000
27
-0.02401
-0.02224
0.00000
28
-0.02401
-0.02224
0.00000
29
0.03854
-0.41940
0.00000
30
0.03854
-0.41940
0.00000
31
-0.03140
0.12302
0.00000
32
-0.03140
0.12302
0.00000
33
0.00016
0.11777
0.00000
34
0.00016
0.11777
0.00000