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)
0.01400
Eigenvectors
#
X
Y
Z
1
-0.03697
0.00000
0.01933
2
0.03697
0.00000
0.01932
3
0.00727
0.00000
0.00495
4
-0.05876
0.00000
-0.01773
5
-0.00727
0.00000
0.00496
6
0.05876
0.00000
-0.01773
7
0.04755
0.00000
0.00659
8
0.00224
0.00000
-0.00901
9
-0.04754
0.00000
0.00659
10
-0.00224
0.00000
-0.00901
11
-0.07887
0.00000
-0.00925
12
0.03500
0.00000
-0.00837
13
0.07887
0.00000
-0.00926
14
-0.03500
0.00000
-0.00837
15
0.02828
0.00000
-0.05272
16
-0.01118
0.00000
0.05828
17
-0.02828
0.00000
-0.05272
18
0.01118
0.00000
0.05828
19
0.00792
0.00000
-0.00446
20
-0.00792
0.00000
-0.00445
21
0.00117
0.00000
0.00062
22
-0.00117
0.00000
0.00062
23
0.03118
0.00000
0.25923
24
-0.00872
0.00000
-0.21370
25
-0.03118
0.00000
0.25923
26
0.00873
0.00000
-0.21370
27
0.21507
0.00000
0.15737
28
-0.12379
0.00000
-0.10518
29
-0.21508
0.00000
0.15738
30
0.12381
0.00000
-0.10519
31
-0.10746
0.00000
0.04481
32
0.10748
0.00000
0.04483
33
0.01437
0.00000
-0.00235
34
-0.01435
0.00000
-0.00236