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)
-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)
-0.43700
Diff mu Y
(Debye)
-1.10800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.05856
0.00293
0.00000
2
0.02662
0.00637
0.00000
3
0.01203
-0.07905
0.00000
4
0.00421
-0.00313
0.00000
5
-0.02145
0.11744
0.00000
6
-0.02429
-0.00056
0.00000
7
0.00248
-0.01848
0.00000
8
-0.02258
0.01700
0.00000
9
-0.00170
0.04133
0.00000
10
-0.00529
-0.04496
0.00000
11
-0.07068
0.06776
0.00000
12
-0.00073
0.00226
0.00000
13
0.05212
-0.05339
0.00000
14
-0.00091
0.00749
0.00000
15
-0.03867
-0.10328
0.00000
16
0.00089
-0.00478
0.00000
17
0.04140
0.02907
0.00000
18
-0.00212
-0.02829
0.00000
19
-0.01608
0.03269
0.00000
20
0.00000
-0.00583
0.00000
21
-0.11657
0.11981
0.00000
22
-0.03820
-0.01755
0.00000
23
-0.11831
-0.29069
0.00000
24
-0.01347
-0.04322
0.00000
25
-0.00505
-0.01106
0.00000
26
0.14345
0.19586
0.00000
27
-0.02031
0.02949
0.00000
28
0.05316
0.00526
0.00000
29
0.07007
0.05770
0.00000
30
0.02530
-0.05807
0.00000
31
0.04264
0.02611
0.00000
32
0.05086
0.19343
0.00000