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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.14800
Eigenvectors
#
X
Y
Z
1
0.00728
0.00000
0.00856
2
-0.00728
0.00000
0.00856
3
-0.01076
0.00000
0.05988
4
0.01300
0.00000
-0.02318
5
0.01076
0.00000
0.05987
6
-0.01300
0.00000
-0.02318
7
-0.03921
0.00000
0.06980
8
0.05553
0.00000
-0.01741
9
0.03921
0.00000
0.06980
10
-0.05554
0.00000
-0.01741
11
-0.06033
0.00000
-0.01443
12
0.06672
0.00000
-0.03958
13
0.06032
0.00000
-0.01443
14
-0.06672
0.00000
-0.03958
15
-0.01531
0.00000
-0.05084
16
0.04086
0.00000
-0.02895
17
0.01532
0.00000
-0.05083
18
-0.04086
0.00000
-0.02895
19
-0.00979
0.00000
0.08234
20
0.00979
0.00000
0.08234
21
-0.00134
0.00000
-0.03900
22
0.00134
0.00000
-0.03900
23
-0.01616
0.00000
-0.08024
24
0.04055
0.00000
0.01200
25
0.01616
0.00000
-0.08024
26
-0.04055
0.00000
0.01200
27
-0.12639
0.00000
-0.04991
28
0.06359
0.00000
-0.04185
29
0.12639
0.00000
-0.04990
30
-0.06359
0.00000
-0.04185
31
0.05295
0.00000
-0.01866
32
-0.05295
0.00000
-0.01866
33
0.00508
0.00000
0.09309
34
-0.00508
0.00000
0.09309