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)
0.04000
Diff mu Y
(Debye)
-0.17900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00614
0.03588
0.00000
2
-0.00747
0.01485
0.00000
3
0.03938
-0.00009
0.00000
4
0.02054
-0.03092
0.00000
5
-0.02397
-0.00929
0.00000
6
-0.00477
-0.03823
0.00000
7
-0.01819
0.00394
0.00000
8
-0.01629
0.01271
0.00000
9
-0.00038
0.01374
0.00000
10
0.01040
0.01336
0.00000
11
0.04378
-0.03368
0.00000
12
-0.09429
-0.03447
0.00000
13
0.00152
-0.02042
0.00000
14
0.11317
0.00029
0.00000
15
0.01221
-0.03133
0.00000
16
-0.02662
0.08111
0.00000
17
-0.04228
0.01888
0.00000
18
0.01192
0.00389
0.00000
19
0.02260
-0.01021
0.00000
20
-0.04920
0.02387
0.00000
21
-0.02035
0.00506
0.00000
22
0.02237
0.13412
0.00000
23
-0.00783
-0.00979
0.00000
24
-0.05513
0.08536
0.00000
25
-0.20442
-0.34381
0.00000
26
0.01157
0.00967
0.00000
27
0.34257
-0.24355
0.00000
28
-0.04938
0.08674
0.00000
29
0.13741
0.01870
0.00000
30
0.05923
-0.04673
0.00000
31
-0.02617
0.07911
0.00000
32
-0.04210
0.06006
0.00000