Charge: 0
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.09600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00040
-0.00007
2
0.00000
0.00040
0.00007
3
0.00000
0.00077
0.00017
4
0.00000
0.00077
-0.00017
5
0.00000
0.00034
-0.00021
6
0.00000
0.00034
0.00021
7
0.00000
0.00053
-0.00068
8
0.00000
0.00053
0.00068
9
0.00000
-0.00006
0.00008
10
0.00000
-0.00006
-0.00008
11
0.00000
-0.02104
0.03486
12
0.00000
-0.02104
-0.03487
13
0.00000
-0.00086
-0.00220
14
0.00000
-0.00086
0.00220
15
0.00000
-0.01226
-0.00153
16
0.00000
-0.01226
0.00153
17
0.00000
-0.03971
0.00061
18
0.00000
-0.03971
-0.00061
19
0.00000
-0.00221
0.00772
20
0.00000
-0.00221
-0.00772
21
0.00000
0.12998
0.00149
22
0.00000
0.12999
-0.00149
23
0.00000
0.24454
-0.39999
24
0.00000
0.24456
0.40003
25
0.00000
0.00986
0.01910
26
0.00000
0.00986
-0.01910
27
0.00000
0.00004
0.00026
28
0.00000
0.00004
-0.00026
29
0.00000
0.45952
-0.00776
30
0.00000
0.45957
0.00776
31
0.00000
0.03818
-0.07103
32
0.00000
0.03819
0.07104