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)
-0.00900
Diff mu Y
(Debye)
0.04100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01518
-0.05192
0.00000
2
0.00425
-0.00245
0.00000
3
-0.04285
-0.06572
0.00000
4
-0.02070
0.02268
0.00000
5
0.03040
-0.03693
0.00000
6
0.03012
0.02863
0.00000
7
-0.06201
-0.05396
0.00000
8
-0.02140
-0.03030
0.00000
9
0.03489
-0.04360
0.00000
10
0.05270
-0.03184
0.00000
11
0.00744
-0.05129
0.00000
12
-0.02430
0.06001
0.00000
13
0.09836
-0.01582
0.00000
14
-0.01003
0.05685
0.00000
15
0.05321
0.03213
0.00000
16
-0.02363
0.08148
0.00000
17
-0.03720
-0.02970
0.00000
18
-0.04796
-0.02221
0.00000
19
-0.01837
0.09044
0.00000
20
0.00964
0.05888
0.00000
21
-0.08750
-0.02673
0.00000
22
-0.02473
-0.03301
0.00000
23
0.02983
-0.06326
0.00000
24
0.08530
-0.06490
0.00000
25
-0.02696
0.05880
0.00000
26
0.09609
-0.02288
0.00000
27
-0.01867
0.07001
0.00000
28
-0.01886
0.08441
0.00000
29
0.02553
0.10107
0.00000
30
0.00076
-0.07190
0.00000
31
-0.02311
0.02149
0.00000
32
-0.00676
0.00209
0.00000