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)
0.01000
Diff mu Y
(Debye)
0.04800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.10087
-0.00119
0.00000
2
0.08504
0.04180
0.00000
3
-0.06429
-0.01425
0.00000
4
0.03832
-0.00415
0.00000
5
-0.03635
-0.01972
0.00000
6
0.06682
0.00917
0.00000
7
0.07845
0.02752
0.00000
8
-0.06464
-0.01549
0.00000
9
0.05571
0.01514
0.00000
10
-0.06817
-0.02280
0.00000
11
-0.03370
-0.00861
0.00000
12
-0.01849
-0.00922
0.00000
13
0.02921
-0.00951
0.00000
14
-0.00259
-0.02662
0.00000
15
-0.01037
0.00306
0.00000
16
0.00323
0.02786
0.00000
17
0.02881
0.00056
0.00000
18
-0.01701
0.00209
0.00000
19
-0.00652
-0.00697
0.00000
20
0.03284
0.00702
0.00000
21
0.16852
-0.07220
0.00000
22
-0.13214
-0.21866
0.00000
23
0.12904
0.23145
0.00000
24
-0.15532
0.06871
0.00000
25
-0.07598
-0.17927
0.00000
26
0.03823
0.01528
0.00000
27
-0.02327
-0.00218
0.00000
28
0.17989
0.06548
0.00000
29
-0.06022
-0.02165
0.00000
30
-0.09803
0.08635
0.00000
31
0.02858
-0.00273
0.00000
32
0.05523
0.08063
0.00000