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)
-0.07300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00463
0.03585
2
0.00000
-0.00463
-0.03585
3
0.00000
-0.04454
-0.02465
4
0.00000
-0.04454
0.02465
5
0.00000
0.06745
-0.03999
6
0.00000
0.06745
0.03999
7
0.00000
0.01395
0.01162
8
0.00000
0.01395
-0.01162
9
0.00000
-0.04085
0.04594
10
0.00000
-0.04085
-0.04594
11
0.00000
0.04905
-0.01660
12
0.00000
0.04905
0.01660
13
0.00000
-0.03063
-0.03051
14
0.00000
-0.03063
0.03051
15
0.00000
-0.01295
0.09449
16
0.00000
-0.01295
-0.09449
17
0.00000
0.00308
0.00254
18
0.00000
0.00308
-0.00254
19
0.00000
-0.00819
-0.01020
20
0.00000
-0.00819
0.01020
21
0.00000
-0.01373
-0.27381
22
0.00000
-0.01373
0.27381
23
0.00000
-0.14246
-0.14319
24
0.00000
-0.14246
0.14319
25
0.00000
0.05812
-0.09086
26
0.00000
0.05812
0.09086
27
0.00000
0.16198
-0.07110
28
0.00000
0.16198
0.07110
29
0.00000
0.00303
0.05314
30
0.00000
0.00303
-0.05314
31
0.00000
0.03144
0.01214
32
0.00000
0.03144
-0.01214