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)
0.30900
Eigenvectors
#
X
Y
Z
1
0.00000
0.02651
-0.03275
2
0.00000
-0.02651
-0.03275
3
0.00000
-0.01938
0.02743
4
0.00000
0.01938
0.02743
5
0.00000
0.02947
0.01438
6
0.00000
-0.02947
0.01438
7
0.00000
0.01847
0.02791
8
0.00000
-0.01847
0.02791
9
0.00000
0.05799
-0.00576
10
0.00000
-0.05799
-0.00575
11
0.00000
-0.03172
-0.06068
12
0.00000
0.03172
-0.06068
13
0.00000
-0.04502
-0.01583
14
0.00000
0.04502
-0.01584
15
0.00000
0.02706
0.08775
16
0.00000
-0.02706
0.08775
17
0.00000
0.01737
-0.04935
18
0.00000
-0.01737
-0.04935
19
0.00000
-0.06557
0.00075
20
0.00000
0.06557
0.00075
21
0.00000
0.03247
-0.19322
22
0.00000
-0.03247
-0.19323
23
0.00000
0.07172
-0.00068
24
0.00000
-0.07172
-0.00068
25
0.00000
0.08807
-0.09524
26
0.00000
-0.08807
-0.09524
27
0.00000
-0.02362
0.04945
28
0.00000
0.02362
0.04945
29
0.00000
0.02080
0.20761
30
0.00000
-0.02080
0.20761
31
0.00000
0.09941
0.10519
32
0.00000
-0.09941
0.10519