Charge: 0
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
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)
-0.65400
Diff mu Y
(Debye)
-0.01200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01490
0.02933
0.00000
2
0.01496
-0.01244
0.00000
3
0.01430
0.01142
0.00000
4
0.01128
0.07541
0.00000
5
0.02171
0.03808
0.00000
6
0.07195
-0.12593
0.00000
7
-0.02844
-0.00101
0.00000
8
-0.01239
-0.01140
0.00000
9
-0.04926
0.01215
0.00000
10
-0.02666
-0.01809
0.00000
11
0.01859
-0.01830
0.00000
12
0.01486
-0.00770
0.00000
13
0.00615
-0.00175
0.00000
14
0.01116
0.03662
0.00000
15
-0.00576
0.01498
0.00000
16
0.00570
0.00611
0.00000
17
-0.00840
-0.01686
0.00000
18
-0.00351
0.01503
0.00000
19
0.01142
-0.00274
0.00000
20
-0.00140
-0.00679
0.00000
21
-0.09259
0.07226
0.00000
22
-0.10365
-0.27674
0.00000
23
-0.09372
-0.09597
0.00000
24
-0.26537
0.24315
0.00000
25
-0.05219
-0.21109
0.00000
26
-0.06269
-0.22702
0.00000
27
-0.23512
0.32939
0.00000
28
-0.04398
-0.00283
0.00000
29
0.04826
0.00556
0.00000
30
-0.03985
0.05430
0.00000
31
-0.00692
-0.01105
0.00000
32
-0.01848
-0.07180
0.00000