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)
-768.41876
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02837 b
(cm-1)
0.00856 c
(cm-1)
0.00657
Dipole Moments
mu_x(Debye)
-0.01429 mu_y
(Debye)
-0.01154 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.41500
Diff mu Y
(Debye)
0.01200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02912
-0.00206
0.00000
2
-0.08647
-0.02652
0.00000
3
0.00791
0.01817
0.00000
4
0.00168
-0.05232
0.00000
5
0.01339
-0.00179
0.00000
6
-0.02806
0.04567
0.00000
7
0.00817
-0.00745
0.00000
8
0.01811
0.01331
0.00000
9
0.00393
0.01040
0.00000
10
0.02219
-0.00823
0.00000
11
-0.01205
-0.00683
0.00000
12
-0.01599
-0.00358
0.00000
13
0.00475
0.00487
0.00000
14
-0.01280
0.00474
0.00000
15
-0.00253
-0.03060
0.00000
16
0.03460
0.00486
0.00000
17
0.00408
0.00739
0.00000
18
-0.00518
0.00196
0.00000
19
0.00424
0.00727
0.00000
20
-0.00081
0.00421
0.00000
21
0.11136
-0.12335
0.00000
22
0.11020
0.28694
0.00000
23
0.05462
0.15822
0.00000
24
0.23442
-0.23678
0.00000
25
-0.09609
-0.23859
0.00000
26
0.01957
0.04797
0.00000
27
-0.16868
0.17479
0.00000
28
0.53888
0.10779
0.00000
29
0.17577
0.04900
0.00000
30
-0.10844
0.10926
0.00000
31
-0.02153
-0.08864
0.00000
32
-0.01701
-0.05008
0.00000