Charge: 2
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+2
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)
0.30600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.03485
2
0.00000
0.00000
-0.03485
3
0.00000
0.00000
0.05887
4
0.00000
0.00000
0.06309
5
0.00000
0.00000
0.06309
6
0.00000
0.00000
0.05887
7
0.00000
0.00000
-0.06245
8
0.00000
0.00000
0.01613
9
0.00000
0.00000
0.01613
10
0.00000
0.00000
-0.06245
11
0.00000
0.00000
-0.02424
12
0.00000
0.00000
-0.06554
13
0.00000
0.00000
-0.06554
14
0.00000
0.00000
-0.02424
15
0.00000
0.00000
-0.03316
16
0.00000
0.00000
-0.03316
17
0.00000
0.00000
0.03738
18
0.00000
0.00000
0.03738
19
0.00000
0.00000
-0.00238
20
0.00000
0.00000
-0.00238
21
0.00000
0.00000
0.02543
22
0.00000
0.00000
0.02543
23
0.00000
0.00000
0.35878
24
0.00000
0.00000
0.35878
25
0.00000
0.00000
-0.14052
26
0.00000
0.00000
-0.14052
27
0.00000
0.00000
-0.14346
28
0.00000
0.00000
-0.14346
29
0.00000
0.00000
0.26657
30
0.00000
0.00000
0.26657
31
0.00000
0.00000
-0.08775
32
0.00000
0.00000
-0.08775
33
0.00000
0.00000
0.00506
34
0.00000
0.00000
0.00506