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)
-1.00800
Eigenvectors
#
X
Y
Z
1
0.00627
0.00000
0.05372
2
-0.00627
0.00000
0.05372
3
0.00082
0.00000
0.10051
4
-0.00296
0.00000
-0.00890
5
-0.00082
0.00000
0.10051
6
0.00296
0.00000
-0.00890
7
0.00033
0.00000
0.02745
8
-0.03219
0.00000
-0.08946
9
-0.00033
0.00000
0.02745
10
0.03219
0.00000
-0.08946
11
0.03686
0.00000
-0.04013
12
-0.02317
0.00000
0.03942
13
-0.03687
0.00000
-0.04013
14
0.02317
0.00000
0.03942
15
0.02681
0.00000
-0.00754
16
0.06440
0.00000
0.00644
17
-0.02681
0.00000
-0.00754
18
-0.06440
0.00000
0.00644
19
0.00915
0.00000
-0.06508
20
-0.00914
0.00000
-0.06508
21
-0.02732
0.00000
-0.00460
22
0.02732
0.00000
-0.00460
23
0.02982
0.00000
0.07183
24
0.06838
0.00000
-0.05226
25
-0.02982
0.00000
0.07183
26
-0.06838
0.00000
-0.05226
27
0.00951
0.00000
-0.05969
28
0.00976
0.00000
0.05907
29
-0.00951
0.00000
-0.05969
30
-0.00976
0.00000
0.05907
31
0.02912
0.00000
-0.12554
32
-0.02911
0.00000
-0.12554
33
0.07030
0.00000
-0.03422
34
-0.07030
0.00000
-0.03422