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)
0.97800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.01159
0.08331
2
0.00000
0.01158
-0.08331
3
0.00000
0.02324
-0.03390
4
0.00000
0.02324
0.03390
5
0.00000
-0.05646
-0.04673
6
0.00000
-0.05646
0.04672
7
0.00000
0.00442
-0.02021
8
0.00000
0.00443
0.02021
9
0.00000
0.02518
-0.01235
10
0.00000
0.02517
0.01235
11
0.00000
-0.00430
0.04324
12
0.00000
-0.00429
-0.04325
13
0.00000
0.02595
0.03733
14
0.00000
0.02596
-0.03733
15
0.00000
-0.00672
-0.08475
16
0.00000
-0.00672
0.08476
17
0.00000
-0.02527
-0.00793
18
0.00000
-0.02528
0.00792
19
0.00000
0.03354
0.04604
20
0.00000
0.03355
-0.04604
21
0.00000
-0.00864
0.25682
22
0.00000
-0.00864
-0.25684
23
0.00000
-0.03748
0.02877
24
0.00000
-0.03749
-0.02877
25
0.00000
0.01734
0.05136
26
0.00000
0.01732
-0.05137
27
0.00000
-0.12868
0.07384
28
0.00000
-0.12866
-0.07383
29
0.00000
-0.02957
-0.01572
30
0.00000
-0.02958
0.01575
31
0.00000
-0.18404
-0.07060
32
0.00000
-0.18406
0.07062