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)
0.13700
Diff mu Y
(Debye)
0.13000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.03717
0.01626
0.00000
2
-0.03560
-0.03500
0.00000
3
0.05245
0.03300
0.00000
4
0.01801
0.01529
0.00000
5
0.00774
-0.04820
0.00000
6
0.06334
-0.00098
0.00000
7
-0.02660
0.02896
0.00000
8
0.00514
-0.03308
0.00000
9
0.03531
-0.01361
0.00000
10
-0.06477
0.06695
0.00000
11
-0.05456
-0.04913
0.00000
12
-0.01700
-0.01854
0.00000
13
-0.03014
-0.01646
0.00000
14
-0.01861
0.00356
0.00000
15
0.05183
0.08816
0.00000
16
0.02444
0.01082
0.00000
17
0.02702
-0.03509
0.00000
18
-0.00630
0.06560
0.00000
19
-0.06908
-0.01997
0.00000
20
0.01208
-0.06153
0.00000
21
0.01038
-0.01325
0.00000
22
0.01833
0.00037
0.00000
23
0.00186
-0.13638
0.00000
24
0.12099
-0.13078
0.00000
25
0.00531
0.05113
0.00000
26
-0.00756
0.06766
0.00000
27
0.02451
-0.04416
0.00000
28
-0.04915
-0.00350
0.00000
29
0.30118
0.06820
0.00000
30
0.16058
-0.09438
0.00000
31
0.05941
0.05550
0.00000
32
0.09800
0.21509
0.00000