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)
-0.51300
Diff mu Y
(Debye)
-0.44200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01114
-0.07868
0.00000
2
0.03048
-0.04713
0.00000
3
0.03296
0.06692
0.00000
4
-0.12016
0.05915
0.00000
5
-0.06349
0.05635
0.00000
6
0.06785
0.06830
0.00000
7
0.00112
-0.04289
0.00000
8
0.03202
0.01441
0.00000
9
0.01694
0.00560
0.00000
10
-0.01604
-0.03663
0.00000
11
0.00112
0.00860
0.00000
12
0.02609
-0.03466
0.00000
13
0.00317
-0.02463
0.00000
14
-0.03171
0.00000
0.00000
15
0.01972
-0.01552
0.00000
16
0.00225
-0.00158
0.00000
17
-0.01790
-0.03543
0.00000
18
0.00579
-0.01228
0.00000
19
0.04760
0.01516
0.00000
20
-0.02287
0.01703
0.00000
21
-0.10689
0.08739
0.00000
22
0.06984
0.12950
0.00000
23
0.03859
0.07524
0.00000
24
-0.14566
0.10852
0.00000
25
-0.00246
-0.12878
0.00000
26
-0.00756
-0.06312
0.00000
27
0.10875
-0.16485
0.00000
28
0.07306
0.01013
0.00000
29
-0.19982
-0.04263
0.00000
30
-0.11466
0.11313
0.00000
31
0.01896
0.12741
0.00000
32
-0.04277
-0.03883
0.00000