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)
-0.24100
Diff mu Y
(Debye)
-0.06600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01670
-0.01204
0.00000
2
-0.00581
0.04774
0.00000
3
-0.00027
-0.05867
0.00000
4
0.02435
0.02788
0.00000
5
0.01924
0.03799
0.00000
6
0.00393
-0.06412
0.00000
7
-0.02120
0.04744
0.00000
8
-0.00738
-0.04255
0.00000
9
-0.01169
-0.04867
0.00000
10
-0.01793
0.05073
0.00000
11
-0.05002
0.07461
0.00000
12
-0.01191
-0.03059
0.00000
13
-0.05008
-0.03980
0.00000
14
-0.02155
0.03255
0.00000
15
0.10828
0.00044
0.00000
16
0.01801
0.00044
0.00000
17
-0.00284
-0.07766
0.00000
18
-0.03700
0.03320
0.00000
19
0.07959
0.01173
0.00000
20
-0.05208
-0.01341
0.00000
21
0.12981
-0.13419
0.00000
22
0.02312
0.04385
0.00000
23
0.03558
0.09013
0.00000
24
0.10674
-0.09006
0.00000
25
0.02209
0.06732
0.00000
26
-0.03540
0.02195
0.00000
27
0.03102
-0.02747
0.00000
28
0.04007
0.00440
0.00000
29
-0.15979
-0.04518
0.00000
30
-0.00444
-0.00301
0.00000
31
0.07416
0.24809
0.00000
32
-0.02882
0.09535
0.00000