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)
-844.54925
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)
0.08000
Diff mu Y
(Debye)
-0.17200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05111
0.00738
0.00000
2
-0.05110
0.00738
0.00000
3
0.01644
0.01317
0.00000
4
-0.05388
-0.05667
0.00000
5
-0.05388
-0.05667
0.00000
6
0.01644
0.01318
0.00000
7
0.03220
0.01153
0.00000
8
-0.01998
-0.06275
0.00000
9
-0.01998
-0.06275
0.00000
10
0.03221
0.01153
0.00000
11
0.03473
0.02373
0.00000
12
-0.01646
-0.05468
0.00000
13
-0.01646
-0.05468
0.00000
14
0.03472
0.02373
0.00000
15
0.04608
-0.06723
0.00000
16
0.04607
-0.06723
0.00000
17
0.00129
0.05884
0.00000
18
0.00129
0.05884
0.00000
19
0.00468
0.07588
0.00000
20
0.00468
0.07588
0.00000
21
0.00690
0.05219
0.00000
22
0.00691
0.05219
0.00000
23
0.02954
-0.08056
0.00000
24
0.02953
-0.08056
0.00000
25
-0.02160
0.03991
0.00000
26
-0.02160
0.03991
0.00000
27
0.01186
0.07490
0.00000
28
0.01186
0.07491
0.00000
29
-0.03026
0.00945
0.00000
30
-0.03027
0.00945
0.00000
31
-0.00471
-0.13175
0.00000
32
-0.00471
-0.13175
0.00000
33
0.00446
0.07142
0.00000
34
0.00447
0.07143
0.00000