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)
0.05000
Diff mu Y
(Debye)
0.33600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.09100
-0.05388
0.00000
2
-0.04949
0.10011
0.00000
3
-0.06083
-0.00207
0.00000
4
0.05945
-0.05592
0.00000
5
-0.05739
0.03648
0.00000
6
-0.03630
-0.03488
0.00000
7
-0.01469
0.06673
0.00000
8
0.00750
-0.03993
0.00000
9
0.00806
0.05089
0.00000
10
0.01526
-0.03235
0.00000
11
-0.00411
-0.00928
0.00000
12
-0.01012
0.01596
0.00000
13
-0.00236
-0.03074
0.00000
14
0.04720
-0.03612
0.00000
15
0.03497
0.00813
0.00000
16
-0.02100
0.02285
0.00000
17
0.00616
-0.04731
0.00000
18
-0.01996
0.04513
0.00000
19
0.02838
0.01459
0.00000
20
-0.03389
-0.03940
0.00000
21
0.17390
-0.14250
0.00000
22
0.00057
-0.08733
0.00000
23
-0.01578
-0.00686
0.00000
24
0.04508
-0.07207
0.00000
25
0.02036
0.11588
0.00000
26
-0.00798
-0.05222
0.00000
27
-0.15657
0.19235
0.00000
28
-0.05504
0.02100
0.00000
29
0.02337
0.01656
0.00000
30
0.04332
-0.01508
0.00000
31
0.05312
0.11948
0.00000
32
0.02029
0.16128
0.00000