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)
0.09400
Diff mu Y
(Debye)
-0.06300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02938
0.00216
0.00000
2
-0.06478
0.00048
0.00000
3
0.00837
0.00687
0.00000
4
-0.05978
0.03632
0.00000
5
-0.02994
-0.02696
0.00000
6
-0.05075
-0.03325
0.00000
7
-0.00596
0.00680
0.00000
8
-0.04660
0.01019
0.00000
9
-0.04434
-0.03606
0.00000
10
-0.06249
-0.04624
0.00000
11
0.08876
0.01956
0.00000
12
0.00404
0.06561
0.00000
13
0.05383
-0.02046
0.00000
14
0.02369
-0.02798
0.00000
15
0.08574
-0.03943
0.00000
16
0.04454
0.02732
0.00000
17
0.06606
0.06635
0.00000
18
0.00055
0.05983
0.00000
19
-0.01979
-0.01317
0.00000
20
0.03377
-0.06678
0.00000
21
-0.00213
0.00207
0.00000
22
-0.05971
-0.02759
0.00000
23
-0.04114
-0.02397
0.00000
24
-0.06688
-0.04214
0.00000
25
0.02141
0.11765
0.00000
26
0.07468
0.04572
0.00000
27
0.06141
-0.07158
0.00000
28
0.08883
0.03646
0.00000
29
-0.08413
-0.02874
0.00000
30
-0.03835
0.10119
0.00000
31
0.07873
0.11372
0.00000
32
0.02044
-0.11761
0.00000