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)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.04300
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06598
-0.02732
2
0.00000
-0.06598
0.02732
3
0.00000
-0.03059
0.00626
4
0.00000
-0.03059
-0.00626
5
0.00000
-0.00320
-0.07667
6
0.00000
-0.00320
0.07667
7
0.00000
0.00440
-0.00915
8
0.00000
0.00440
0.00915
9
0.00000
0.10689
-0.04975
10
0.00000
0.10689
0.04975
11
0.00000
-0.02524
0.07147
12
0.00000
-0.02524
-0.07147
13
0.00000
-0.01515
0.01498
14
0.00000
-0.01515
-0.01498
15
0.00000
0.01423
0.05778
16
0.00000
0.01423
-0.05778
17
0.00000
0.00731
-0.01055
18
0.00000
0.00731
0.01055
19
0.00000
0.00010
-0.00789
20
0.00000
0.00010
0.00789
21
0.00000
0.01389
0.04679
22
0.00000
0.01389
-0.04679
23
0.00000
-0.02498
0.07003
24
0.00000
-0.02498
-0.07003
25
0.00000
-0.09491
0.05963
26
0.00000
-0.09491
-0.05963
27
0.00000
0.19353
-0.09970
28
0.00000
0.19353
0.09970
29
0.00000
0.00849
-0.00605
30
0.00000
0.00849
0.00605
31
0.00000
-0.01011
-0.01373
32
0.00000
-0.01011
0.01373