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)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.28300
Eigenvectors
#
X
Y
Z
1
0.00000
0.00576
-0.05334
2
0.00000
-0.00576
-0.05334
3
0.00000
0.02569
0.01286
4
0.00000
-0.02569
0.01286
5
0.00000
0.00727
-0.02621
6
0.00000
-0.00727
-0.02621
7
0.00000
0.01616
0.06425
8
0.00000
-0.01616
0.06425
9
0.00000
0.00925
0.02846
10
0.00000
-0.00925
0.02846
11
0.00000
-0.01079
0.03494
12
0.00000
0.01079
0.03494
13
0.00000
0.02169
0.00131
14
0.00000
-0.02169
0.00130
15
0.00000
-0.03730
-0.02051
16
0.00000
0.03730
-0.02051
17
0.00000
0.06963
0.03232
18
0.00000
-0.06963
0.03232
19
0.00000
0.08370
-0.07837
20
0.00000
-0.08370
-0.07837
21
0.00000
-0.03953
-0.13694
22
0.00000
0.03953
-0.13694
23
0.00000
0.04271
0.07432
24
0.00000
-0.04270
0.07432
25
0.00000
0.07254
-0.02819
26
0.00000
-0.07254
-0.02819
27
0.00000
0.06475
-0.00136
28
0.00000
-0.06475
-0.00136
29
0.00000
0.07852
0.17400
30
0.00000
-0.07852
0.17400
31
0.00000
0.18753
-0.03070
32
0.00000
-0.18753
-0.03070