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)
1.14200
Eigenvectors
#
X
Y
Z
1
0.03225
0.00000
-0.05846
2
-0.03225
0.00000
-0.05846
3
-0.01379
0.00000
0.06887
4
-0.00546
0.00000
0.02818
5
0.01379
0.00000
0.06887
6
0.00546
0.00000
0.02819
7
0.04565
0.00000
-0.06096
8
0.06377
0.00000
-0.01407
9
-0.04565
0.00000
-0.06096
10
-0.06377
0.00000
-0.01407
11
-0.01942
0.00000
0.01217
12
-0.04564
0.00000
-0.02531
13
0.01942
0.00000
0.01217
14
0.04564
0.00000
-0.02531
15
0.01314
0.00000
0.01095
16
-0.01462
0.00000
0.07291
17
-0.01314
0.00000
0.01095
18
0.01462
0.00000
0.07292
19
0.03066
0.00000
0.01417
20
-0.03066
0.00000
0.01417
21
-0.07063
0.00000
-0.04134
22
0.07063
0.00000
-0.04134
23
0.01180
0.00000
-0.10883
24
-0.01377
0.00000
-0.05679
25
-0.01180
0.00000
-0.10883
26
0.01377
0.00000
-0.05680
27
-0.08662
0.00000
-0.02542
28
-0.03325
0.00000
-0.01594
29
0.08662
0.00000
-0.02542
30
0.03325
0.00000
-0.01594
31
-0.12082
0.00000
0.08819
32
0.12082
0.00000
0.08819
33
0.06976
0.00000
0.03406
34
-0.06976
0.00000
0.03406