Charge: 2
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/q+2
Electronic States
Energy
(eV)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
-0.10800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01881
-0.05119
2
0.00000
-0.01881
0.05119
3
0.00000
0.03295
0.01228
4
0.00000
0.03296
-0.01228
5
0.00000
0.02103
0.02416
6
0.00000
0.02103
-0.02417
7
0.00000
-0.02103
0.02349
8
0.00000
-0.02103
-0.02348
9
0.00000
-0.03720
0.04190
10
0.00000
-0.03720
-0.04190
11
0.00000
-0.01479
0.02790
12
0.00000
-0.01479
-0.02790
13
0.00000
0.04302
-0.00239
14
0.00000
0.04302
0.00240
15
0.00000
-0.01913
-0.07378
16
0.00000
-0.01913
0.07378
17
0.00000
0.01653
-0.02205
18
0.00000
0.01653
0.02205
19
0.00000
-0.01795
-0.01065
20
0.00000
-0.01795
0.01065
21
0.00000
-0.02418
0.30103
22
0.00000
-0.02418
-0.30104
23
0.00000
0.02922
0.06313
24
0.00000
0.02923
-0.06314
25
0.00000
-0.21536
0.14466
26
0.00000
-0.21537
-0.14467
27
0.00000
0.26515
-0.12526
28
0.00000
0.26514
0.12526
29
0.00000
0.02190
0.05118
30
0.00000
0.02190
-0.05118
31
0.00000
0.10624
0.05859
32
0.00000
0.10625
-0.05860