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)
-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)
-0.17100
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01576
0.00000
0.03167
2
0.01576
0.00000
-0.03167
3
-0.00240
0.00000
0.04987
4
0.02326
0.00000
0.01643
5
-0.00240
0.00000
-0.04987
6
0.02326
0.00000
-0.01643
7
-0.00909
0.00000
0.02035
8
-0.06896
0.00000
-0.00425
9
-0.00909
0.00000
-0.02035
10
-0.06896
0.00000
0.00425
11
0.00810
0.00000
0.00117
12
0.02498
0.00000
-0.04688
13
0.00810
0.00000
-0.00117
14
0.02498
0.00000
0.04688
15
0.00509
0.00000
0.00177
16
0.05137
0.00000
0.04842
17
0.00509
0.00000
-0.00177
18
0.05137
0.00000
-0.04842
19
0.00368
0.00000
-0.04060
20
0.00368
0.00000
0.04060
21
-0.01940
0.00000
-0.02052
22
-0.01940
0.00000
0.02052
23
0.00508
0.00000
0.09399
24
0.05216
0.00000
0.29234
25
0.00508
0.00000
-0.09399
26
0.05216
0.00000
-0.29235
27
-0.02090
0.00000
-0.01495
28
-0.00273
0.00000
-0.07014
29
-0.02090
0.00000
0.01495
30
-0.00273
0.00000
0.07014
31
-0.34809
0.00000
0.14007
32
-0.34809
0.00000
-0.14007
33
-0.07131
0.00000
-0.08520
34
-0.07132
0.00000
0.08520