Charge: 2
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+2
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.06200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00018
0.00000
0.00013
2
-0.00018
0.00000
-0.00013
3
0.00028
0.00000
-0.00034
4
0.00049
0.00000
-0.00043
5
0.00028
0.00000
0.00034
6
0.00049
0.00000
0.00043
7
0.00107
0.00000
0.00042
8
0.00930
0.00000
0.02004
9
0.00107
0.00000
-0.00042
10
0.00930
0.00000
-0.02004
11
-0.01349
0.00000
0.02791
12
0.01215
0.00000
-0.02360
13
-0.01349
0.00000
-0.02791
14
0.01215
0.00000
0.02361
15
-0.02903
0.00000
-0.00182
16
0.02406
0.00000
0.00115
17
-0.02903
0.00000
0.00182
18
0.02406
0.00000
-0.00115
19
-0.00154
0.00000
0.00266
20
-0.00153
0.00000
-0.00265
21
-0.00009
0.00000
-0.00225
22
-0.00009
0.00000
0.00225
23
0.32190
0.00000
0.00247
24
-0.26867
0.00000
-0.00627
25
0.32192
0.00000
-0.00247
26
-0.26869
0.00000
0.00627
27
0.16575
0.00000
-0.30037
28
-0.15096
0.00000
0.26031
29
0.16576
0.00000
0.30037
30
-0.15097
0.00000
-0.26034
31
-0.12028
0.00000
-0.23130
32
-0.12028
0.00000
0.23131
33
0.01625
0.00000
-0.03076
34
0.01618
0.00000
0.03064