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)
-0.60500
Diff mu Y
(Debye)
2.04800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.08400
-0.02263
0.00000
2
0.02645
0.04555
0.00000
3
0.00056
0.05282
0.00000
4
0.01087
-0.00217
0.00000
5
0.07658
-0.07338
0.00000
6
-0.01287
-0.04397
0.00000
7
0.07226
-0.07567
0.00000
8
-0.04057
0.00809
0.00000
9
0.00788
0.06219
0.00000
10
-0.01469
-0.00435
0.00000
11
-0.02442
0.01918
0.00000
12
0.02744
0.01660
0.00000
13
-0.03102
0.03992
0.00000
14
0.01731
0.02719
0.00000
15
0.05189
-0.01535
0.00000
16
-0.06136
-0.02431
0.00000
17
-0.00870
-0.03027
0.00000
18
0.01515
-0.00635
0.00000
19
0.00574
0.01834
0.00000
20
-0.02416
-0.02017
0.00000
21
-0.21739
0.27710
0.00000
22
-0.01582
0.10562
0.00000
23
-0.09494
-0.24573
0.00000
24
0.05181
-0.08732
0.00000
25
0.01700
-0.02638
0.00000
26
-0.04802
-0.00265
0.00000
27
0.06093
-0.01522
0.00000
28
0.17688
0.02255
0.00000
29
-0.02974
0.01419
0.00000
30
-0.05740
0.07270
0.00000
31
0.02049
0.09896
0.00000
32
0.01321
0.12826
0.00000