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)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
1.06000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05153
2
0.00000
0.00000
0.09512
3
0.00000
0.00000
-0.02105
4
0.00000
0.00000
-0.01320
5
0.00000
0.00000
0.01321
6
0.00000
0.00000
-0.04401
7
0.00000
0.00000
-0.00066
8
0.00000
0.00000
0.00675
9
0.00000
0.00000
0.00352
10
0.00000
0.00000
0.02815
11
0.00000
0.00000
0.08278
12
0.00000
0.00000
-0.02637
13
0.00000
0.00000
0.00276
14
0.00000
0.00000
-0.02210
15
0.00000
0.00000
-0.02083
16
0.00000
0.00000
-0.06311
17
0.00000
0.00000
-0.04399
18
0.00000
0.00000
0.00265
19
0.00000
0.00000
-0.04832
20
0.00000
0.00000
-0.01388
21
0.00000
0.00000
0.00597
22
0.00000
0.00000
-0.04023
23
0.00000
0.00000
-0.12389
24
0.00000
0.00000
-0.09917
25
0.00000
0.00000
0.35381
26
0.00000
0.00000
-0.01222
27
0.00000
0.00000
0.39280
28
0.00000
0.00000
0.35856
29
0.00000
0.00000
0.22202
30
0.00000
0.00000
0.24258
31
0.00000
0.00000
0.04446
32
0.00000
0.00000
0.25205