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)
1.55500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01624
0.04899
2
0.00000
0.01624
-0.04899
3
0.00000
0.02278
-0.00686
4
0.00000
0.02278
0.00686
5
0.00000
-0.09858
0.05225
6
0.00000
-0.09858
-0.05225
7
0.00000
-0.02401
-0.02918
8
0.00000
-0.02401
0.02918
9
0.00000
0.00505
-0.01372
10
0.00000
0.00505
0.01372
11
0.00000
0.00390
0.01826
12
0.00000
0.00390
-0.01826
13
0.00000
0.00709
0.01139
14
0.00000
0.00709
-0.01139
15
0.00000
0.01306
-0.01291
16
0.00000
0.01306
0.01292
17
0.00000
-0.00085
-0.03000
18
0.00000
-0.00085
0.03000
19
0.00000
0.00096
0.02264
20
0.00000
0.00096
-0.02264
21
0.00000
0.01573
-0.25581
22
0.00000
0.01573
0.25583
23
0.00000
0.08557
0.06800
24
0.00000
0.08559
-0.06801
25
0.00000
0.10526
-0.03711
26
0.00000
0.10525
0.03711
27
0.00000
0.31922
-0.19696
28
0.00000
0.31923
0.19696
29
0.00000
-0.00206
-0.08843
30
0.00000
-0.00206
0.08844
31
0.00000
0.12349
0.09425
32
0.00000
0.12351
-0.09426