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)
-767.79023
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02870 b
(cm-1)
0.00846 c
(cm-1)
0.00654
Dipole Moments
mu_x(Debye)
-0.17956 mu_y
(Debye)
-0.00356 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.30200
Diff mu Y
(Debye)
0.20800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.09468
-0.01876
0.00000
2
0.02845
-0.00346
0.00000
3
-0.01700
-0.00326
0.00000
4
0.04102
0.02538
0.00000
5
-0.03018
0.03309
0.00000
6
0.04296
-0.03675
0.00000
7
0.04737
-0.05062
0.00000
8
-0.04571
0.04226
0.00000
9
0.02592
0.06421
0.00000
10
-0.02348
-0.06522
0.00000
11
-0.01487
0.04039
0.00000
12
0.01315
0.02276
0.00000
13
0.01473
-0.03440
0.00000
14
0.02873
0.00841
0.00000
15
-0.00088
-0.02075
0.00000
16
-0.04061
-0.01050
0.00000
17
0.00348
0.02304
0.00000
18
-0.02085
-0.01554
0.00000
19
0.02112
0.01736
0.00000
20
-0.00327
-0.01417
0.00000
21
0.26562
-0.31386
0.00000
22
-0.02526
0.12408
0.00000
23
0.11997
0.35144
0.00000
24
-0.00568
-0.09668
0.00000
25
0.01460
0.02204
0.00000
26
0.00986
-0.05758
0.00000
27
0.00470
0.04246
0.00000
28
-0.20668
-0.04373
0.00000
29
0.21530
0.06479
0.00000
30
-0.05721
0.01875
0.00000
31
-0.01501
-0.05245
0.00000
32
-0.02762
-0.10080
0.00000