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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.07500
Eigenvectors
#
X
Y
Z
1
0.03958
0.00000
-0.06000
2
-0.03958
0.00000
-0.06000
3
0.03039
0.00000
0.01005
4
0.06095
0.00000
0.02292
5
-0.03039
0.00000
0.01005
6
-0.06095
0.00000
0.02292
7
-0.00427
0.00000
0.01750
8
-0.04862
0.00000
0.02398
9
0.00427
0.00000
0.01750
10
0.04862
0.00000
0.02398
11
-0.01781
0.00000
0.01591
12
0.01058
0.00000
-0.00993
13
0.01781
0.00000
0.01591
14
-0.01058
0.00000
-0.00993
15
0.00848
0.00000
-0.07401
16
-0.00138
0.00000
-0.02548
17
-0.00848
0.00000
-0.07401
18
0.00138
0.00000
-0.02548
19
0.07419
0.00000
0.00260
20
-0.07419
0.00000
0.00260
21
-0.03151
0.00000
0.06632
22
0.03151
0.00000
0.06632
23
0.00838
0.00000
0.16032
24
-0.00003
0.00000
0.07622
25
-0.00838
0.00000
0.16032
26
0.00003
0.00000
0.07622
27
0.08846
0.00000
0.07946
28
0.05288
0.00000
0.01237
29
-0.08846
0.00000
0.07946
30
-0.05288
0.00000
0.01237
31
0.20492
0.00000
-0.10815
32
-0.20492
0.00000
-0.10815
33
-0.08866
0.00000
-0.09952
34
0.08866
0.00000
-0.09952