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
0.00000
0.00000
-0.00019
2
0.00000
0.00000
0.00019
3
0.00000
0.00000
-0.00233
4
0.00000
0.00000
-0.00840
5
0.00000
0.00000
0.00840
6
0.00000
0.00000
0.00233
7
0.00000
0.00000
-0.00957
8
0.00000
0.00000
0.01384
9
0.00000
0.00000
-0.01384
10
0.00000
0.00000
0.00957
11
0.00000
0.00000
-0.01427
12
0.00000
0.00000
0.02809
13
0.00000
0.00000
-0.02809
14
0.00000
0.00000
0.01427
15
0.00000
0.00000
0.03243
16
0.00000
0.00000
-0.03243
17
0.00000
0.00000
0.05360
18
0.00000
0.00000
-0.05360
19
0.00000
0.00000
-0.07720
20
0.00000
0.00000
0.07720
21
0.00000
0.00000
0.04569
22
0.00000
0.00000
-0.04569
23
0.00000
0.00000
-0.16368
24
0.00000
0.00000
0.16368
25
0.00000
0.00000
-0.26676
26
0.00000
0.00000
0.26676
27
0.00000
0.00000
0.40472
28
0.00000
0.00000
-0.40472
29
0.00000
0.00000
0.14299
30
0.00000
0.00000
-0.14299
31
0.00000
0.00000
0.05967
32
0.00000
0.00000
-0.05967
33
0.00000
0.00000
-0.22744
34
0.00000
0.00000
0.22744