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)
0.34700
Diff mu Y
(Debye)
-0.13200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00839
0.05349
0.00000
2
-0.00839
0.05349
0.00000
3
0.02532
0.03450
0.00000
4
-0.01717
0.02625
0.00000
5
-0.01717
0.02625
0.00000
6
0.02532
0.03450
0.00000
7
0.06086
0.02368
0.00000
8
0.04476
0.00953
0.00000
9
0.04476
0.00953
0.00000
10
0.06086
0.02368
0.00000
11
-0.04153
-0.02247
0.00000
12
-0.08725
-0.02180
0.00000
13
-0.08725
-0.02180
0.00000
14
-0.04153
-0.02247
0.00000
15
-0.07620
-0.02527
0.00000
16
-0.07620
-0.02527
0.00000
17
0.00589
-0.04787
0.00000
18
0.00589
-0.04787
0.00000
19
0.01807
-0.03872
0.00000
20
0.01807
-0.03872
0.00000
21
0.07734
0.01691
0.00000
22
0.07734
0.01691
0.00000
23
-0.06433
-0.01427
0.00000
24
-0.06433
-0.01427
0.00000
25
0.03723
-0.02106
0.00000
26
0.03723
-0.02106
0.00000
27
-0.03536
-0.01967
0.00000
28
-0.03536
-0.01967
0.00000
29
-0.08229
-0.05381
0.00000
30
-0.08229
-0.05381
0.00000
31
0.05255
-0.03223
0.00000
32
0.05255
-0.03223
0.00000
33
0.07207
0.04308
0.00000
34
0.07207
0.04308
0.00000