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)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.08400
Diff mu Y
(Debye)
0.53000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01505
-0.05100
0.00000
2
-0.02250
-0.01354
0.00000
3
-0.00451
-0.09111
0.00000
4
-0.02393
0.01718
0.00000
5
0.01482
-0.01504
0.00000
6
-0.00234
0.02715
0.00000
7
0.01512
0.03508
0.00000
8
-0.00231
0.04409
0.00000
9
0.04601
0.01205
0.00000
10
-0.00501
0.01311
0.00000
11
0.06693
-0.06260
0.00000
12
-0.03154
-0.01051
0.00000
13
-0.10766
-0.02905
0.00000
14
0.04765
0.05718
0.00000
15
-0.03924
-0.02787
0.00000
16
0.00545
-0.05983
0.00000
17
0.11137
-0.00030
0.00000
18
-0.01055
0.00876
0.00000
19
-0.01761
0.06714
0.00000
20
-0.01547
0.03913
0.00000
21
-0.05138
0.10914
0.00000
22
-0.00874
0.02563
0.00000
23
0.06066
0.05287
0.00000
24
-0.02376
0.03267
0.00000
25
-0.01385
0.03962
0.00000
26
-0.13942
-0.12148
0.00000
27
0.00433
0.10525
0.00000
28
-0.05563
-0.07167
0.00000
29
0.01975
0.08039
0.00000
30
-0.04009
0.04503
0.00000
31
0.14901
0.12948
0.00000
32
-0.01556
0.04946
0.00000