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)
-0.07400
Diff mu Y
(Debye)
-0.66600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01021
0.04419
0.00000
2
-0.00212
0.00197
0.00000
3
0.04230
0.05964
0.00000
4
0.02836
-0.02225
0.00000
5
-0.03108
0.03929
0.00000
6
-0.03679
-0.02062
0.00000
7
0.05833
0.05193
0.00000
8
0.02825
0.02890
0.00000
9
-0.04188
0.05318
0.00000
10
-0.05151
0.04013
0.00000
11
-0.01123
0.04159
0.00000
12
0.02933
-0.06132
0.00000
13
-0.09887
0.01035
0.00000
14
0.01131
-0.06468
0.00000
15
-0.04865
-0.03710
0.00000
16
0.02300
-0.08379
0.00000
17
0.01676
0.03444
0.00000
18
0.04865
0.03106
0.00000
19
0.02310
-0.07915
0.00000
20
0.00489
-0.06380
0.00000
21
0.07737
0.03182
0.00000
22
0.03310
0.03741
0.00000
23
-0.03771
0.07099
0.00000
24
-0.08109
0.07195
0.00000
25
0.03128
-0.06314
0.00000
26
-0.09689
0.02108
0.00000
27
0.02007
-0.07831
0.00000
28
0.02076
-0.08712
0.00000
29
-0.03283
-0.09380
0.00000
30
0.01280
0.06883
0.00000
31
0.00500
-0.01565
0.00000
32
0.02023
-0.01113
0.00000