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)
0.05500
Diff mu Y
(Debye)
-0.00400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01134
-0.01102
0.00000
2
-0.01062
-0.04039
0.00000
3
-0.02508
0.01838
0.00000
4
-0.01640
-0.05380
0.00000
5
-0.00399
0.01122
0.00000
6
0.01192
-0.07215
0.00000
7
-0.03854
-0.02079
0.00000
8
-0.04047
-0.02866
0.00000
9
0.02190
-0.03268
0.00000
10
0.02110
-0.04260
0.00000
11
-0.00909
0.05186
0.00000
12
0.00671
-0.06073
0.00000
13
0.00148
0.03289
0.00000
14
0.02122
-0.08266
0.00000
15
-0.00910
0.07025
0.00000
16
0.02531
-0.08402
0.00000
17
-0.00698
0.06717
0.00000
18
0.01711
0.08123
0.00000
19
0.02158
0.09935
0.00000
20
0.01504
0.09533
0.00000
21
-0.02360
-0.03596
0.00000
22
-0.03375
-0.00968
0.00000
23
0.01148
-0.06134
0.00000
24
0.00360
-0.02461
0.00000
25
0.01469
-0.03754
0.00000
26
-0.00376
0.02045
0.00000
27
0.02148
-0.08362
0.00000
28
0.03718
-0.08192
0.00000
29
0.02599
0.10096
0.00000
30
0.03345
0.06489
0.00000
31
-0.00755
0.05836
0.00000
32
0.01884
0.11160
0.00000