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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.14700
Diff mu Y
(Debye)
0.27200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01250
-0.07343
0.00000
2
0.04054
-0.06870
0.00001
3
-0.07568
-0.01347
0.00000
4
0.08767
-0.03434
0.00000
5
0.01081
-0.02576
0.00000
6
-0.03490
-0.00173
0.00000
7
-0.09109
0.05546
0.00000
8
0.01305
0.07555
0.00000
9
-0.05109
0.05587
0.00000
10
-0.05475
0.05354
0.00000
11
0.00975
0.00319
0.00000
12
0.06842
-0.05561
0.00000
13
0.07075
-0.01750
0.00000
14
-0.01949
0.00104
0.00000
15
0.03913
0.00413
0.00001
16
-0.00284
0.00563
0.00000
17
0.01777
0.00829
0.00000
18
-0.00410
0.00664
0.00000
19
-0.00796
0.00273
0.00000
20
0.00607
-0.00776
0.00000
21
-0.13890
0.10839
0.00001
22
0.05194
0.19218
0.00000
23
-0.03625
0.09999
0.00001
24
-0.06347
0.06193
0.00000
25
0.04643
-0.12529
-0.00001
26
0.07252
-0.01244
0.00000
27
0.00338
-0.02554
-0.00001
28
-0.04634
-0.00471
0.00001
29
-0.01493
0.00087
-0.00001
30
-0.01182
0.01492
0.00001
31
0.02404
0.03497
-0.00001
32
-0.00049
-0.03269
0.00000