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)
-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)
-0.04800
Diff mu Y
(Debye)
0.32100
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00979
0.02357
0.00000
2
0.00165
0.01359
0.00000
3
0.01791
0.03845
0.00000
4
0.00731
-0.01193
0.00000
5
-0.01020
-0.00922
0.00000
6
-0.01366
0.00875
0.00000
7
0.02813
0.01046
0.00000
8
0.00996
0.00045
0.00000
9
-0.04441
-0.04700
0.00000
10
-0.04879
-0.05825
0.00000
11
0.03692
0.04214
0.00000
12
0.01071
-0.02328
0.00000
13
0.05664
0.02425
0.00000
14
0.00842
0.01537
0.00000
15
0.00750
0.08535
0.00000
16
-0.00087
-0.01193
0.00000
17
0.10398
-0.04747
0.00000
18
-0.02922
-0.09590
0.00000
19
-0.03161
-0.02812
0.00000
20
-0.12524
0.08025
0.00000
21
0.05027
-0.01444
0.00000
22
0.00989
-0.00269
0.00000
23
-0.04439
-0.04178
0.00000
24
-0.02189
-0.08922
0.00000
25
0.00904
-0.02992
0.00000
26
0.05912
0.03778
0.00000
27
0.00601
0.01743
0.00000
28
-0.02888
-0.01789
0.00000
29
0.11934
0.00872
0.00000
30
-0.08191
-0.04072
0.00000
31
0.10995
-0.01939
0.00000
32
-0.12576
0.07860
0.00000