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)
-768.43015
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02846 b
(cm-1)
0.00844 c
(cm-1)
0.00651
Dipole Moments
mu_x(Debye)
0.18438 mu_y
(Debye)
0.13618 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.66200
Diff mu Y
(Debye)
0.74800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00803
0.00148
0.00000
2
-0.00484
-0.02293
0.00000
3
0.02063
0.01155
0.00000
4
0.00248
0.02685
0.00000
5
-0.02424
0.02324
0.00000
6
0.00652
0.01841
0.00000
7
-0.01013
0.03153
0.00000
8
-0.00536
-0.05935
0.00000
9
0.00560
-0.07638
0.00000
10
-0.01255
0.05126
0.00000
11
-0.07859
-0.01318
0.00000
12
-0.01865
0.00132
0.00000
13
-0.01211
-0.01169
0.00000
14
-0.03274
-0.00732
0.00000
15
0.08282
0.03831
0.00000
16
0.07345
0.00466
0.00000
17
0.02984
-0.05910
0.00000
18
-0.01831
0.07162
0.00000
19
-0.01758
0.00613
0.00000
20
-0.03025
-0.07913
0.00000
21
0.00994
0.00933
0.00000
22
0.05356
0.11977
0.00000
23
0.08605
0.15847
0.00000
24
0.04902
-0.00998
0.00000
25
-0.04625
-0.07478
0.00000
26
-0.03954
-0.08937
0.00000
27
-0.02962
-0.01906
0.00000
28
-0.18539
-0.04905
0.00000
29
0.21889
0.06443
0.00000
30
0.12939
-0.07776
0.00000
31
0.09396
0.15609
0.00000
32
0.08834
0.32044
0.00000