Charge: -1
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q-1
Electronic States
Energy
(eV)
-844.54925
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02091 b
(cm-1)
0.00821 c
(cm-1)
0.00590
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
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
0.00000
0.01179
2
0.00000
0.00000
-0.01179
3
0.00000
0.00000
-0.01442
4
0.00000
0.00000
0.04299
5
0.00000
0.00000
-0.04299
6
0.00000
0.00000
0.01442
7
0.00000
0.00000
0.02722
8
0.00000
0.00000
-0.07523
9
0.00000
0.00000
0.07523
10
0.00000
0.00000
-0.02722
11
0.00000
0.00000
0.03339
12
0.00000
0.00000
-0.00705
13
0.00000
0.00000
0.00705
14
0.00000
0.00000
-0.03339
15
0.00000
0.00000
0.00300
16
0.00000
0.00000
-0.00300
17
0.00000
0.00000
-0.06029
18
0.00000
0.00000
0.06029
19
0.00000
0.00000
-0.00636
20
0.00000
0.00000
0.00636
21
0.00000
0.00000
0.02741
22
0.00000
0.00000
-0.02741
23
0.00000
0.00000
-0.11978
24
0.00000
0.00000
0.11978
25
0.00000
0.00000
0.31053
26
0.00000
0.00000
-0.31053
27
0.00000
0.00000
0.10360
28
0.00000
0.00000
-0.10360
29
0.00000
0.00000
0.07063
30
0.00000
0.00000
-0.07063
31
0.00000
0.00000
-0.39126
32
0.00000
0.00000
0.39126
33
0.00000
0.00000
-0.21796
34
0.00000
0.00000
0.21796