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)
0.09100
Diff mu Y
(Debye)
0.56700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03157
-0.00537
0.00000
2
0.02339
0.01639
0.00000
3
0.01640
-0.03826
0.00000
4
0.03428
0.05462
0.00000
5
0.02443
0.06788
0.00000
6
0.03630
-0.04055
0.00000
7
0.00134
-0.01789
0.00000
8
-0.04009
0.00675
0.00000
9
-0.02573
-0.00934
0.00000
10
-0.03019
-0.00763
0.00000
11
0.02082
0.02726
0.00000
12
0.01093
0.00291
0.00000
13
0.00415
-0.01126
0.00000
14
0.01121
0.00356
0.00000
15
-0.00422
0.09663
0.00000
16
-0.01155
-0.00509
0.00000
17
-0.01635
0.01202
0.00000
18
-0.00184
-0.00714
0.00000
19
0.02057
-0.00569
0.00000
20
0.00512
-0.04666
0.00000
21
0.04972
-0.07596
0.00000
22
-0.05839
-0.03512
0.00000
23
-0.09553
-0.20201
0.00000
24
-0.16121
0.13351
0.00000
25
-0.01231
-0.07451
0.00000
26
-0.16048
-0.52115
0.00000
27
-0.04148
0.06654
0.00000
28
-0.14947
-0.03331
0.00000
29
-0.01201
-0.01550
0.00000
30
0.13367
-0.15438
0.00000
31
0.00947
0.10685
0.00000
32
-0.06610
-0.30386
0.00000