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)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00041
0.00000
2
0.00000
-0.00041
0.00000
3
0.00000
-0.00101
0.00000
4
0.00000
0.00610
0.00000
5
0.00000
0.00101
0.00000
6
0.00000
-0.00610
0.00000
7
0.00000
0.01823
0.00000
8
0.00000
-0.02060
0.00000
9
0.00000
-0.01823
0.00000
10
0.00000
0.02060
0.00000
11
0.00000
-0.05833
0.00000
12
0.00000
0.04139
0.00000
13
0.00000
0.05834
0.00000
14
0.00000
-0.04138
0.00000
15
0.00000
0.05584
0.00000
16
0.00000
-0.03606
0.00000
17
0.00000
-0.05584
0.00000
18
0.00000
0.03606
0.00000
19
0.00000
-0.04741
0.00000
20
0.00000
0.04741
0.00000
21
0.00000
-0.01472
0.00000
22
0.00000
0.01472
0.00000
23
0.00000
-0.30186
0.00000
24
0.00000
0.18347
0.00000
25
0.00000
0.30188
0.00000
26
0.00000
-0.18344
0.00000
27
0.00000
0.31522
0.00000
28
0.00000
-0.22313
0.00000
29
0.00000
-0.31524
0.00000
30
0.00000
0.22309
0.00000
31
0.00000
0.09767
0.00000
32
0.00000
-0.09765
0.00000
33
0.00000
0.24562
0.00000
34
0.00000
-0.24563
0.00000