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)
-768.42040
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01288 c
(cm-1)
0.00730
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.55919
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.91500
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.10979
-0.01397
2
0.00000
0.10979
0.01397
3
0.00000
0.00657
-0.01956
4
0.00000
0.00657
0.01956
5
0.00000
0.00181
-0.00373
6
0.00000
0.00181
0.00373
7
0.00000
-0.00667
-0.02583
8
0.00000
-0.00667
0.02583
9
0.00000
-0.00753
0.02411
10
0.00000
-0.00753
-0.02411
11
0.00000
-0.07084
0.08611
12
0.00000
-0.07084
-0.08611
13
0.00000
-0.05626
-0.08158
14
0.00000
-0.05626
0.08158
15
0.00000
0.03927
0.00314
16
0.00000
0.03927
-0.00314
17
0.00000
0.01514
0.00979
18
0.00000
0.01514
-0.00979
19
0.00000
-0.01438
0.01891
20
0.00000
-0.01438
-0.01891
21
0.00000
0.03422
-0.01396
22
0.00000
0.03422
0.01396
23
0.00000
-0.11036
0.05862
24
0.00000
-0.11036
-0.05862
25
0.00000
-0.10440
-0.05427
26
0.00000
-0.10440
0.05427
27
0.00000
-0.02369
0.03445
28
0.00000
-0.02369
-0.03445
29
0.00000
0.01764
0.03701
30
0.00000
0.01764
-0.03701
31
0.00000
-0.01473
0.02022
32
0.00000
-0.01473
-0.02022