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)
-844.32045
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02100 b
(cm-1)
0.00820 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
-0.00736
-0.00135
0.00000
2
0.00736
0.00135
0.00000
3
0.06618
-0.02302
0.00000
4
0.04154
-0.01981
0.00000
5
-0.04154
0.01981
0.00000
6
-0.06618
0.02302
0.00000
7
-0.00146
-0.03481
0.00000
8
-0.02849
0.00106
0.00000
9
0.02849
-0.00106
0.00000
10
0.00146
0.03481
0.00000
11
0.05112
0.03591
0.00000
12
-0.01808
0.00626
0.00000
13
0.01808
-0.00626
0.00000
14
-0.05112
-0.03591
0.00000
15
-0.02636
0.01099
0.00000
16
0.02636
-0.01099
0.00000
17
0.01840
0.00354
0.00000
18
-0.01840
-0.00354
0.00000
19
-0.03325
0.00509
0.00000
20
0.03325
-0.00509
0.00000
21
0.01429
-0.01026
0.00000
22
-0.01429
0.01026
0.00000
23
-0.23954
-0.16627
0.00000
24
0.23954
0.16627
0.00000
25
0.06932
0.04086
0.00000
26
-0.06932
-0.04086
0.00000
27
-0.35545
0.11663
0.00000
28
0.35545
-0.11663
0.00000
29
0.03026
-0.07837
0.00000
30
-0.03026
0.07837
0.00000
31
0.06754
-0.20514
0.00000
32
-0.06754
0.20514
0.00000
33
0.03958
-0.13798
0.00000
34
-0.03958
0.13798
0.00000