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)
0.17000
Diff mu Y
(Debye)
-0.05600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01180
-0.02523
0.00000
2
-0.06616
-0.04575
0.00000
3
0.04133
0.01553
0.00000
4
-0.00093
0.03305
0.00000
5
-0.02750
0.06702
0.00000
6
0.09268
0.03921
0.00000
7
-0.05680
0.01990
0.00000
8
0.03580
0.01564
0.00000
9
-0.00176
-0.02155
0.00000
10
-0.01537
-0.01090
0.00000
11
-0.02607
0.01754
0.00000
12
0.01177
-0.04624
0.00000
13
0.00463
-0.03759
0.00000
14
-0.03362
0.03315
0.00000
15
0.03118
-0.03185
0.00000
16
-0.04252
-0.01152
0.00000
17
-0.01357
-0.04638
0.00000
18
0.01513
-0.00727
0.00000
19
0.04500
0.02322
0.00000
20
-0.03307
0.00814
0.00000
21
0.12520
-0.18883
0.00000
22
-0.01583
-0.14739
0.00000
23
0.03360
0.09385
0.00000
24
-0.10114
0.08395
0.00000
25
0.07824
0.13535
0.00000
26
0.01109
-0.03065
0.00000
27
0.21013
-0.23085
0.00000
28
0.23774
0.04326
0.00000
29
-0.16479
-0.02241
0.00000
30
-0.11353
0.12785
0.00000
31
0.06787
0.25655
0.00000
32
-0.03475
0.02081
0.00000