Charge: 2
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+2
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)
0.10700
Diff mu Y
(Debye)
-0.23500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01251
-0.03334
0.00000
2
0.00032
-0.00491
0.00000
3
-0.02243
-0.01250
0.00000
4
-0.02064
0.03834
0.00000
5
0.02431
-0.00490
0.00000
6
0.00657
0.04121
0.00000
7
0.01193
-0.01366
0.00000
8
0.01005
-0.00647
0.00000
9
-0.00786
-0.00971
0.00000
10
-0.00720
-0.01385
0.00000
11
-0.04272
0.03365
0.00000
12
0.10668
0.04369
0.00000
13
-0.00092
0.02296
0.00000
14
-0.09576
-0.00760
0.00000
15
-0.01992
0.04491
0.00000
16
0.00151
-0.08747
0.00000
17
0.04186
-0.02557
0.00000
18
-0.02265
0.00279
0.00000
19
-0.02458
-0.00533
0.00000
20
0.06620
-0.01798
0.00000
21
0.01544
-0.01831
0.00000
22
-0.01885
-0.09516
0.00000
23
0.00195
0.02196
0.00000
24
0.05967
-0.09196
0.00000
25
0.21703
0.33589
0.00000
26
-0.01508
-0.01796
0.00000
27
-0.29449
0.20862
0.00000
28
-0.02277
-0.10377
0.00000
29
-0.16255
-0.04053
0.00000
30
-0.09185
0.07548
0.00000
31
0.03001
-0.08171
0.00000
32
0.07613
-0.00492
0.00000