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)
-0.14900
Diff mu Y
(Debye)
0.28000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.00688
-0.01899
0.00000
2
0.00043
-0.00785
0.00000
3
-0.02913
-0.03153
0.00000
4
-0.01536
0.00482
0.00000
5
0.02051
0.01400
0.00000
6
0.02165
-0.00167
0.00000
7
-0.04170
-0.01239
0.00000
8
-0.02783
0.00507
0.00000
9
0.04413
0.04215
0.00000
10
0.05301
0.05648
0.00000
11
-0.03876
-0.05138
0.00000
12
-0.01031
0.02089
0.00000
13
-0.03401
-0.02565
0.00000
14
-0.00013
-0.00922
0.00000
15
0.00930
-0.08218
0.00000
16
0.00147
0.00452
0.00000
17
-0.11506
0.03255
0.00000
18
0.01794
0.08934
0.00000
19
0.02898
0.04101
0.00000
20
0.12668
-0.07823
0.00000
21
-0.05876
0.00694
0.00000
22
-0.02602
0.01460
0.00000
23
0.04406
0.03649
0.00000
24
0.03426
0.08108
0.00000
25
-0.00602
0.03518
0.00000
26
-0.03508
-0.03160
0.00000
27
-0.00446
-0.00376
0.00000
28
0.02243
0.00900
0.00000
29
-0.11075
0.00737
0.00000
30
0.07777
0.02707
0.00000
31
-0.12030
0.01102
0.00000
32
0.12405
-0.09496
0.00000