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)
0.06500
Diff mu Y
(Debye)
0.15800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.02199
0.03689
0.00000
2
-0.01130
0.03534
0.00000
3
0.03958
0.01894
0.00000
4
-0.02969
-0.01693
0.00000
5
-0.00735
0.00653
0.00000
6
0.00291
0.03056
0.00000
7
0.04518
0.08684
0.00000
8
-0.06083
0.05844
0.00000
9
-0.03563
-0.02231
0.00000
10
-0.03526
-0.03043
0.00000
11
-0.00813
-0.04693
0.00000
12
0.00144
-0.06431
0.00000
13
0.04178
0.02024
0.00000
14
0.04096
0.03377
0.00000
15
0.06254
-0.01473
0.00000
16
0.01105
-0.08942
0.00000
17
-0.09320
-0.04260
0.00000
18
-0.05158
-0.03963
0.00000
19
-0.00526
0.06197
0.00000
20
0.07398
-0.01253
0.00000
21
0.06946
0.05787
0.00000
22
-0.06423
0.04513
0.00000
23
-0.03392
-0.01331
0.00000
24
-0.00933
-0.05987
0.00000
25
0.01463
-0.02928
0.00000
26
0.06180
0.08057
0.00000
27
0.00162
0.07597
0.00000
28
-0.05760
-0.10429
0.00000
29
-0.01317
0.05842
0.00000
30
0.02772
-0.12369
0.00000
31
-0.08887
-0.01455
0.00000
32
0.05373
-0.08853
0.00000