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)
0.19900
Diff mu Y
(Debye)
0.23000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.07460
-0.01595
0.00000
2
0.08067
0.01761
0.00000
3
-0.02285
-0.01011
0.00000
4
0.05179
-0.01932
0.00000
5
-0.05534
-0.02441
0.00000
6
0.00434
0.05465
0.00000
7
0.04619
0.02489
0.00000
8
-0.05439
-0.01440
0.00000
9
0.08089
-0.05537
0.00000
10
-0.05249
0.04434
0.00000
11
-0.01671
0.00489
0.00000
12
-0.03250
0.00770
0.00000
13
0.01643
-0.00976
0.00000
14
-0.02774
-0.01629
0.00000
15
0.00368
0.00006
0.00000
16
0.04014
-0.00492
0.00000
17
0.01030
-0.00609
0.00000
18
-0.01275
0.00510
0.00000
19
-0.00398
-0.01063
0.00000
20
0.01738
0.01306
0.00000
21
0.14381
-0.08832
0.00000
22
-0.09036
-0.11395
0.00000
23
0.06839
-0.12248
0.00000
24
-0.26688
0.29452
0.00000
25
-0.06563
-0.08009
0.00000
26
0.04264
0.07123
0.00000
27
-0.10310
0.06470
0.00000
28
0.35607
0.05766
0.00000
29
-0.03098
-0.01861
0.00000
30
-0.07587
0.07122
0.00000
31
0.00109
-0.04551
0.00000
32
0.03904
0.08742
0.00000