Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q+1
Electronic States
Energy
(eV)
-843.92758
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01471 b
(cm-1)
0.01120 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.46112
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)
0.15600
Eigenvectors
#
X
Y
Z
1
-0.00022
0.00000
0.00019
2
0.00022
0.00000
0.00019
3
-0.00044
0.00000
0.00009
4
-0.00004
0.00000
-0.00003
5
0.00044
0.00000
0.00009
6
0.00004
0.00000
-0.00003
7
-0.00248
0.00000
-0.00069
8
0.00004
0.00000
0.00003
9
0.00248
0.00000
-0.00069
10
-0.00004
0.00000
0.00004
11
0.02577
0.00000
-0.04561
12
0.00032
0.00000
-0.00046
13
-0.02576
0.00000
-0.04559
14
-0.00033
0.00000
-0.00047
15
0.02569
0.00000
0.00165
16
-0.00180
0.00000
-0.00005
17
-0.02568
0.00000
0.00165
18
0.00180
0.00000
-0.00005
19
-0.00881
0.00000
0.01285
20
0.00881
0.00000
0.01286
21
-0.00040
0.00000
0.00118
22
0.00040
0.00000
0.00118
23
-0.28048
0.00000
0.00061
24
0.02079
0.00000
-0.00040
25
0.28038
0.00000
0.00062
26
-0.02075
0.00000
-0.00040
27
-0.29581
0.00000
0.50729
28
-0.00325
0.00000
0.00509
29
0.29569
0.00000
0.50709
30
0.00328
0.00000
0.00514
31
-0.00013
0.00000
-0.00032
32
0.00015
0.00000
-0.00035
33
0.08788
0.00000
-0.14486
34
-0.08790
0.00000
-0.14489