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)
-0.04100
Diff mu Y
(Debye)
-0.52500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.01488
0.03970
0.00000
2
0.02334
0.00398
0.00000
3
0.01381
0.08715
0.00000
4
0.01676
-0.02679
0.00000
5
-0.02058
0.01507
0.00000
6
0.01111
-0.02701
0.00000
7
-0.00160
-0.02981
0.00000
8
-0.01370
-0.04463
0.00000
9
-0.05273
-0.01094
0.00000
10
0.02006
-0.01062
0.00000
11
-0.07195
0.05781
0.00000
12
0.03929
0.01147
0.00000
13
0.10168
0.03250
0.00000
14
-0.05147
-0.05598
0.00000
15
0.04139
0.03752
0.00000
16
-0.01001
0.07235
0.00000
17
-0.10504
0.00427
0.00000
18
0.01090
-0.01386
0.00000
19
0.01774
-0.06755
0.00000
20
0.00682
-0.03407
0.00000
21
0.06960
-0.11392
0.00000
22
-0.01261
-0.04153
0.00000
23
-0.07372
-0.06502
0.00000
24
0.04849
-0.04430
0.00000
25
0.02274
-0.03735
0.00000
26
0.13174
0.11706
0.00000
27
-0.01108
-0.10553
0.00000
28
0.03935
0.08424
0.00000
29
-0.00435
-0.07685
0.00000
30
0.03189
-0.04036
0.00000
31
-0.13930
-0.11691
0.00000
32
0.00790
-0.04264
0.00000