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)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07132
0.02604
0.00000
2
0.07132
-0.02604
0.00000
3
0.00920
0.01904
0.00000
4
0.02436
0.05317
0.00000
5
-0.02436
-0.05317
0.00000
6
-0.00920
-0.01904
0.00000
7
0.10111
-0.05082
0.00000
8
-0.07780
0.01759
0.00000
9
0.07780
-0.01759
0.00000
10
-0.10111
0.05081
0.00000
11
-0.04448
-0.00334
0.00000
12
-0.01896
0.02684
0.00000
13
0.01896
-0.02684
0.00000
14
0.04447
0.00334
0.00000
15
-0.00383
0.01888
0.00000
16
0.00383
-0.01888
0.00000
17
0.00698
-0.01064
0.00000
18
-0.00699
0.01064
0.00000
19
-0.00302
0.04142
0.00000
20
0.00302
-0.04142
0.00000
21
-0.00977
-0.04173
0.00000
22
0.00977
0.04173
0.00000
23
0.13600
0.14211
0.00000
24
-0.13600
-0.14211
0.00000
25
0.01776
0.00260
0.00000
26
-0.01776
-0.00259
0.00000
27
-0.06270
0.06367
0.00000
28
0.06270
-0.06367
0.00000
29
-0.00767
0.09287
0.00000
30
0.00767
-0.09289
0.00000
31
0.06502
0.08516
0.00000
32
-0.06502
-0.08516
0.00000
33
-0.01962
0.01855
0.00000
34
0.01962
-0.01855
0.00000