Charge: -1
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-1
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)
-1.11600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01429
0.01519
2
0.00000
-0.01429
-0.01520
3
0.00000
0.03790
0.02648
4
0.00000
0.03791
-0.02648
5
0.00000
0.05999
-0.06673
6
0.00000
0.05999
0.06673
7
0.00000
-0.00741
-0.01039
8
0.00000
-0.00741
0.01039
9
0.00000
-0.04065
0.06237
10
0.00000
-0.04065
-0.06237
11
0.00000
-0.06065
-0.03684
12
0.00000
-0.06065
0.03684
13
0.00000
-0.06030
0.03543
14
0.00000
-0.06031
-0.03543
15
0.00000
0.04173
0.00604
16
0.00000
0.04173
-0.00604
17
0.00000
-0.01669
-0.03576
18
0.00000
-0.01669
0.03576
19
0.00000
0.02756
0.04576
20
0.00000
0.02756
-0.04576
21
0.00000
0.04984
-0.00101
22
0.00000
0.04984
0.00101
23
0.00000
0.14526
0.08977
24
0.00000
0.14526
-0.08977
25
0.00000
0.16292
-0.08649
26
0.00000
0.16293
0.08649
27
0.00000
0.16606
-0.04764
28
0.00000
0.16606
0.04763
29
0.00000
-0.01942
0.01258
30
0.00000
-0.01942
-0.01258
31
0.00000
-0.11396
-0.02770
32
0.00000
-0.11396
0.02770