Charge: 0
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
Electronic States
Energy
(eV)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.00200
Diff mu Y
(Debye)
-0.21700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00429
-0.03783
0.00000
2
-0.01194
-0.06633
0.00000
3
-0.04591
0.07176
0.00000
4
-0.00529
-0.01895
0.00000
5
-0.01201
-0.00100
0.00000
6
-0.01676
-0.01627
0.00000
7
0.03075
0.01149
0.00000
8
0.03959
-0.01614
0.00000
9
0.01029
0.00311
0.00000
10
0.01492
0.00909
0.00000
11
-0.06043
0.07209
0.00000
12
-0.05964
0.00720
0.00000
13
-0.00043
0.00936
0.00000
14
0.06791
0.04097
0.00000
15
0.00370
-0.00766
0.00000
16
-0.00982
0.01833
0.00000
17
0.06297
-0.05047
0.00000
18
0.04474
-0.01582
0.00000
19
-0.07207
0.08864
0.00000
20
0.02511
-0.04727
0.00000
21
0.09922
-0.06177
0.00000
22
0.02879
-0.06034
0.00000
23
-0.00653
-0.04958
0.00000
24
-0.01162
0.03982
0.00000
25
-0.07727
-0.03416
0.00000
26
0.01604
0.06066
0.00000
27
0.12680
-0.01791
0.00000
28
-0.05632
0.01398
0.00000
29
-0.21353
0.05950
0.00000
30
0.10816
-0.07323
0.00000
31
0.00779
-0.25467
0.00000
32
-0.03805
-0.26857
0.00000