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)
-0.04500
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02570
0.00000
0.02173
2
0.02570
0.00000
-0.02173
3
-0.02777
0.00000
0.04365
4
0.00136
0.00000
0.06254
5
-0.02777
0.00000
-0.04365
6
0.00136
0.00000
-0.06254
7
0.01498
0.00000
-0.07332
8
-0.03496
0.00000
-0.02479
9
0.01498
0.00000
0.07332
10
-0.03496
0.00000
0.02479
11
-0.04437
0.00000
-0.02759
12
0.06454
0.00000
0.01280
13
-0.04437
0.00000
0.02760
14
0.06454
0.00000
-0.01280
15
0.03618
0.00000
0.02125
16
-0.01923
0.00000
0.04842
17
0.03618
0.00000
-0.02125
18
-0.01923
0.00000
-0.04842
19
0.02746
0.00000
0.05611
20
0.02746
0.00000
-0.05611
21
-0.02760
0.00000
0.04002
22
-0.02760
0.00000
-0.04002
23
0.04051
0.00000
-0.02180
24
-0.01927
0.00000
-0.20169
25
0.04051
0.00000
0.02180
26
-0.01927
0.00000
0.20169
27
0.03814
0.00000
0.01265
28
-0.15591
0.00000
-0.12188
29
0.03815
0.00000
-0.01265
30
-0.15590
0.00000
0.12188
31
0.02317
0.00000
-0.06304
32
0.02317
0.00000
0.06304
33
-0.12032
0.00000
-0.02758
34
-0.12032
0.00000
0.02758