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)
-0.21900
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00787
-0.03287
2
0.00000
0.00787
0.03287
3
0.00000
0.02490
0.01183
4
0.00000
0.02490
-0.01183
5
0.00000
-0.01173
-0.03395
6
0.00000
-0.01173
0.03395
7
0.00000
-0.00503
0.05473
8
0.00000
-0.00503
-0.05473
9
0.00000
0.00483
0.03162
10
0.00000
0.00482
-0.03162
11
0.00000
0.00098
0.00649
12
0.00000
0.00098
-0.00649
13
0.00000
-0.00355
0.02733
14
0.00000
-0.00355
-0.02734
15
0.00000
-0.00334
-0.03070
16
0.00000
-0.00334
0.03070
17
0.00000
0.03295
0.04166
18
0.00000
0.03295
-0.04166
19
0.00000
-0.01478
-0.03677
20
0.00000
-0.01478
0.03677
21
0.00000
-0.00178
-0.34807
22
0.00000
-0.00177
0.34808
23
0.00000
0.08116
0.05980
24
0.00000
0.08116
-0.05980
25
0.00000
-0.18987
0.13190
26
0.00000
-0.18987
-0.13190
27
0.00000
-0.06002
0.07105
28
0.00000
-0.06004
-0.07106
29
0.00000
0.03773
0.19985
30
0.00000
0.03773
-0.19985
31
0.00000
-0.26121
-0.18367
32
0.00000
-0.26121
0.18367