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)
0.10200
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00193
0.09089
2
0.00000
0.00193
-0.09089
3
0.00000
0.04868
-0.04690
4
0.00000
0.04868
0.04690
5
0.00000
-0.05658
-0.05678
6
0.00000
-0.05658
0.05678
7
0.00000
-0.01008
0.03213
8
0.00000
-0.01008
-0.03213
9
0.00000
0.00179
0.02113
10
0.00000
0.00179
-0.02113
11
0.00000
-0.06639
-0.03819
12
0.00000
-0.06639
0.03819
13
0.00000
0.06960
-0.03760
14
0.00000
0.06960
0.03760
15
0.00000
-0.00157
0.06686
16
0.00000
-0.00157
-0.06686
17
0.00000
0.00197
0.01074
18
0.00000
0.00197
-0.01074
19
0.00000
0.01152
-0.00166
20
0.00000
0.01152
0.00165
21
0.00000
-0.00161
0.03336
22
0.00000
-0.00161
-0.03336
23
0.00000
0.10262
0.06728
24
0.00000
0.10261
-0.06728
25
0.00000
-0.03726
0.02060
26
0.00000
-0.03726
-0.02060
27
0.00000
-0.02205
0.03447
28
0.00000
-0.02205
-0.03446
29
0.00000
0.00190
-0.15194
30
0.00000
0.00190
0.15194
31
0.00000
-0.05402
-0.04064
32
0.00000
-0.05402
0.04064