Charge: -1
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/q-1
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)
-0.28300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01925
0.03876
2
0.00000
-0.01925
-0.03876
3
0.00000
-0.04369
0.03091
4
0.00000
-0.04368
-0.03091
5
0.00000
0.02598
0.05622
6
0.00000
0.02597
-0.05622
7
0.00000
0.05432
-0.02334
8
0.00000
0.05432
0.02334
9
0.00000
0.01997
0.05034
10
0.00000
0.01996
-0.05035
11
0.00000
-0.09093
0.01702
12
0.00000
-0.09092
-0.01701
13
0.00000
0.04624
0.01844
14
0.00000
0.04623
-0.01844
15
0.00000
-0.03345
-0.01876
16
0.00000
-0.03345
0.01876
17
0.00000
0.05210
-0.06265
18
0.00000
0.05210
0.06265
19
0.00000
-0.00225
-0.04372
20
0.00000
-0.00225
0.04372
21
0.00000
-0.03386
-0.10003
22
0.00000
-0.03386
0.10003
23
0.00000
-0.12607
-0.00305
24
0.00000
-0.12606
0.00306
25
0.00000
0.09413
-0.00749
26
0.00000
0.09413
0.00750
27
0.00000
-0.03269
0.08081
28
0.00000
-0.03268
-0.08082
29
0.00000
0.05271
-0.10230
30
0.00000
0.05271
0.10230
31
0.00000
-0.06170
-0.07819
32
0.00000
-0.06170
0.07819