Charge: 1
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/q+1
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)
0.03900
Diff mu Y
(Debye)
-0.08600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.04582
-0.04449
0.00000
2
-0.00779
0.05382
0.00000
3
-0.10758
-0.03422
0.00000
4
-0.09444
0.02048
0.00000
5
0.07256
-0.01457
0.00000
6
0.05352
0.03115
0.00000
7
0.02990
-0.00672
0.00000
8
0.03604
0.02297
0.00000
9
-0.02224
-0.01944
0.00000
10
-0.01912
0.01413
0.00000
11
0.01046
0.03402
0.00000
12
0.02532
-0.03629
0.00000
13
-0.06712
0.00322
0.00000
14
-0.01812
-0.02756
0.00000
15
0.07948
-0.01683
0.00000
16
0.00571
0.01802
0.00000
17
-0.00592
0.03603
0.00000
18
-0.00860
-0.00787
0.00000
19
-0.01994
-0.01688
0.00000
20
-0.00919
0.01509
0.00000
21
0.20532
-0.20251
0.00000
22
0.07886
0.14665
0.00000
23
-0.05596
-0.11905
0.00000
24
-0.09451
0.09612
0.00000
25
-0.00896
-0.14115
0.00000
26
-0.02897
0.13052
0.00000
27
0.05380
-0.10822
0.00000
28
0.00651
0.01670
0.00000
29
0.04033
-0.00365
0.00000
30
0.08496
-0.10836
0.00000
31
-0.05765
-0.14396
0.00000
32
0.02898
0.15045
0.00000