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)
0.18000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.00138
2
0.00000
0.00000
-0.00138
3
0.00000
0.00000
0.00336
4
0.00000
0.00000
-0.00467
5
0.00000
0.00000
-0.00467
6
0.00000
0.00000
0.00336
7
0.00000
0.00000
0.00412
8
0.00000
0.00000
0.00038
9
0.00000
0.00000
0.00038
10
0.00000
0.00000
0.00412
11
0.00000
0.00000
0.01353
12
0.00000
0.00000
0.04648
13
0.00000
0.00000
0.04648
14
0.00000
0.00000
0.01353
15
0.00000
0.00000
-0.05257
16
0.00000
0.00000
-0.05257
17
0.00000
0.00000
-0.04042
18
0.00000
0.00000
-0.04042
19
0.00000
0.00000
0.06020
20
0.00000
0.00000
0.06020
21
0.00000
0.00000
-0.03737
22
0.00000
0.00000
-0.03737
23
0.00000
0.00000
0.29296
24
0.00000
0.00000
0.29296
25
0.00000
0.00000
0.20946
26
0.00000
0.00000
0.20946
27
0.00000
0.00000
-0.33446
28
0.00000
0.00000
-0.33446
29
0.00000
0.00000
-0.26744
30
0.00000
0.00000
-0.26744
31
0.00000
0.00000
-0.00679
32
0.00000
0.00000
-0.00679
33
0.00000
0.00000
0.20571
34
0.00000
0.00000
0.20571