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)
-843.94190
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02102 b
(cm-1)
0.00818 c
(cm-1)
0.00589
Dipole Moments
mu_x(Debye)
0.00001 mu_y
(Debye)
-0.00001 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
0.00000
0.00000
0.04842
2
0.00000
0.00000
-0.04842
3
0.00000
0.00000
-0.01458
4
0.00000
0.00000
-0.04088
5
0.00000
0.00000
0.04088
6
0.00000
0.00000
0.01458
7
0.00000
0.00000
0.09664
8
0.00000
0.00000
-0.02877
9
0.00000
0.00000
0.02877
10
0.00000
0.00000
-0.09664
11
0.00000
0.00000
-0.10781
12
0.00000
0.00000
0.06082
13
0.00000
0.00000
-0.06082
14
0.00000
0.00000
0.10781
15
0.00000
0.00000
0.06118
16
0.00000
0.00000
-0.06118
17
0.00000
0.00000
0.00349
18
0.00000
0.00000
-0.00350
19
0.00000
0.00000
0.00148
20
0.00000
0.00000
-0.00148
21
0.00000
0.00000
-0.01390
22
0.00000
0.00000
0.01390
23
0.00000
0.00000
0.22041
24
0.00000
0.00000
-0.22041
25
0.00000
0.00000
0.11498
26
0.00000
0.00000
-0.11499
27
0.00000
0.00000
0.03108
28
0.00000
0.00000
-0.03108
29
0.00000
0.00000
-0.12454
30
0.00000
0.00000
0.12454
31
0.00000
0.00000
0.09225
32
0.00000
0.00000
-0.09225
33
0.00000
0.00000
-0.09196
34
0.00000
0.00000
0.09196