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)
0.05700
Diff mu Y
(Debye)
-0.62700
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01519
0.04305
0.00000
2
-0.00257
0.03467
0.00000
3
-0.04992
0.04022
0.00000
4
-0.04581
0.00071
0.00000
5
0.01507
0.05079
0.00000
6
0.06735
-0.00610
0.00000
7
-0.08341
0.02493
0.00000
8
-0.08448
0.03010
0.00000
9
0.07259
0.01924
0.00000
10
0.10115
0.02463
0.00000
11
0.02566
0.01964
0.00000
12
-0.04777
-0.01800
0.00000
13
0.02296
0.03604
0.00000
14
0.01308
-0.03314
0.00000
15
0.03140
0.00082
0.00000
16
-0.00491
-0.07329
0.00000
17
0.05831
-0.01728
0.00000
18
-0.01061
-0.04767
0.00000
19
-0.02664
-0.07763
0.00000
20
-0.03065
-0.04798
0.00000
21
-0.07365
0.00990
0.00000
22
-0.07488
0.06411
0.00000
23
0.05706
-0.03129
0.00000
24
0.09053
0.03929
0.00000
25
-0.03474
0.01936
0.00000
26
0.03265
0.06287
0.00000
27
-0.03088
0.01692
0.00000
28
0.01413
-0.07000
0.00000
29
-0.01653
-0.07645
0.00000
30
-0.05519
-0.00170
0.00000
31
0.06045
-0.00564
0.00000
32
-0.03588
-0.07198
0.00000