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)
0.00400
Diff mu Y
(Debye)
-0.00900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05464
-0.00125
0.00000
2
-0.02201
0.00669
0.00000
3
-0.06250
-0.00351
0.00000
4
-0.00872
0.04178
0.00000
5
-0.05656
-0.00075
0.00000
6
0.00417
-0.01865
0.00000
7
-0.05284
0.03468
0.00000
8
-0.02251
0.05112
0.00000
9
-0.03496
-0.03174
0.00000
10
-0.00328
-0.03304
0.00000
11
-0.04308
-0.01862
0.00000
12
0.03867
0.05600
0.00000
13
-0.04634
0.01463
0.00000
14
0.05268
-0.01259
0.00000
15
-0.03049
0.01135
0.00000
16
0.06707
0.02629
0.00000
17
0.01038
-0.07452
0.00000
18
0.08595
-0.06456
0.00000
19
0.10079
-0.01580
0.00000
20
0.04640
0.03386
0.00000
21
-0.06987
0.05243
0.00000
22
-0.01794
0.06625
0.00000
23
-0.04570
-0.06291
0.00000
24
0.00612
-0.04436
0.00000
25
0.05084
0.09159
0.00000
26
-0.04399
0.02436
0.00000
27
0.07714
-0.04068
0.00000
28
0.09779
0.03256
0.00000
29
0.14650
-0.00473
0.00000
30
0.11828
-0.09886
0.00000
31
-0.00437
-0.13043
0.00000
32
0.06401
0.09837
0.00000