Charge: 0
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
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)
0.23600
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05171
0.00000
0.00868
2
-0.05171
0.00000
-0.00868
3
-0.05133
0.00000
0.02193
4
-0.01583
0.00000
-0.00973
5
-0.05133
0.00000
-0.02193
6
-0.01583
0.00000
0.00973
7
0.00798
0.00000
0.06224
8
0.03772
0.00000
0.01568
9
0.00798
0.00000
-0.06224
10
0.03772
0.00000
-0.01568
11
-0.00042
0.00000
0.04436
12
0.04092
0.00000
0.05410
13
-0.00042
0.00000
-0.04436
14
0.04092
0.00000
-0.05411
15
-0.01412
0.00000
0.03241
16
-0.00381
0.00000
0.06710
17
-0.01412
0.00000
-0.03241
18
-0.00381
0.00000
-0.06710
19
0.08583
0.00000
0.03519
20
0.08583
0.00000
-0.03519
21
-0.05641
0.00000
-0.01424
22
-0.05641
0.00000
0.01424
23
-0.01549
0.00000
0.07383
24
-0.00577
0.00000
0.12922
25
-0.01549
0.00000
-0.07383
26
-0.00577
0.00000
-0.12922
27
-0.01884
0.00000
0.03545
28
0.06655
0.00000
0.06968
29
-0.01884
0.00000
-0.03546
30
0.06654
0.00000
-0.06968
31
0.08073
0.00000
-0.00682
32
0.08073
0.00000
0.00682
33
0.14496
0.00000
0.06995
34
0.14496
0.00000
-0.06994