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)
-0.03500
Diff mu Y
(Debye)
0.05500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02423
-0.02952
0.00000
2
-0.03777
-0.00418
0.00000
3
0.05770
-0.00525
0.00000
4
0.00717
0.10596
0.00000
5
-0.02519
-0.03531
0.00000
6
0.01616
-0.05963
0.00000
7
-0.04897
-0.00339
0.00000
8
0.00139
-0.00693
0.00000
9
-0.00297
0.01985
0.00000
10
0.01468
-0.00581
0.00000
11
0.03327
0.05535
0.00000
12
0.02304
-0.02135
0.00000
13
-0.02858
-0.01280
0.00000
14
0.00953
0.02227
0.00000
15
0.01917
-0.02249
0.00000
16
0.01247
-0.00688
0.00000
17
-0.01217
-0.02814
0.00000
18
-0.01225
0.00403
0.00000
19
-0.00883
0.00346
0.00000
20
-0.00511
0.01459
0.00000
21
-0.10568
0.05591
0.00000
22
-0.07351
-0.21896
0.00000
23
0.08685
0.28597
0.00000
24
0.04943
-0.04606
0.00000
25
-0.06613
-0.30742
0.00000
26
0.06605
0.29168
0.00000
27
-0.12315
0.17308
0.00000
28
-0.09566
-0.03010
0.00000
29
-0.11571
-0.02156
0.00000
30
-0.04086
0.03284
0.00000
31
-0.08047
-0.27304
0.00000
32
0.05863
0.24991
0.00000