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)
0.04400
Diff mu Y
(Debye)
0.19300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.01443
-0.03489
0.00000
2
-0.03445
-0.05098
0.00000
3
-0.03237
0.04078
0.00000
4
-0.02136
-0.00876
0.00000
5
-0.00547
-0.01264
0.00000
6
-0.01963
-0.01235
0.00000
7
0.02290
0.01116
0.00000
8
0.04740
-0.01876
0.00000
9
0.00619
-0.00068
0.00000
10
0.03001
0.01771
0.00000
11
-0.00551
0.07770
0.00000
12
-0.02501
-0.00183
0.00000
13
-0.00181
-0.01153
0.00000
14
0.03995
0.03755
0.00000
15
-0.01450
0.03001
0.00000
16
-0.00422
0.00696
0.00000
17
-0.00493
0.03760
0.00000
18
-0.13453
-0.06433
0.00000
19
0.05646
-0.05852
0.00000
20
0.10696
-0.00372
0.00000
21
-0.00170
0.04718
0.00000
22
0.02840
-0.08749
0.00000
23
-0.01211
-0.06005
0.00000
24
0.01583
0.03606
0.00000
25
-0.02537
0.00222
0.00000
26
-0.01367
-0.04750
0.00000
27
0.06931
0.00903
0.00000
28
-0.07310
-0.00444
0.00000
29
0.14976
-0.04687
0.00000
30
-0.23112
0.02212
0.00000
31
0.03358
0.20439
0.00000
32
0.15968
0.15776
0.00000