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)
-0.73300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00030
0.00018
2
0.00000
0.00030
0.00018
3
0.00000
-0.00088
-0.00046
4
0.00000
0.00088
-0.00046
5
0.00000
-0.00019
0.00007
6
0.00000
0.00019
0.00007
7
0.00000
0.00033
0.00109
8
0.00000
-0.00033
0.00109
9
0.00000
0.00032
0.00055
10
0.00000
-0.00032
0.00055
11
0.00000
0.02025
-0.03228
12
0.00000
-0.02025
-0.03228
13
0.00000
0.00100
0.00312
14
0.00000
-0.00100
0.00312
15
0.00000
0.01073
0.00094
16
0.00000
-0.01073
0.00094
17
0.00000
0.04022
-0.00003
18
0.00000
-0.04022
-0.00003
19
0.00000
0.00761
-0.01388
20
0.00000
-0.00761
-0.01388
21
0.00000
-0.11214
-0.00171
22
0.00000
0.11214
-0.00171
23
0.00000
-0.23293
0.37837
24
0.00000
0.23293
0.37837
25
0.00000
-0.01514
-0.02893
26
0.00000
0.01514
-0.02893
27
0.00000
-0.00375
-0.00645
28
0.00000
0.00375
-0.00645
29
0.00000
-0.46594
0.00191
30
0.00000
0.46593
0.00191
31
0.00000
-0.08257
0.14145
32
0.00000
0.08257
0.14145