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)
0.00000
Diff mu Z
(Debye)
0.43100
Eigenvectors
#
X
Y
Z
1
0.00000
0.01669
0.00885
2
0.00000
-0.01669
0.00885
3
0.00000
0.02516
-0.01534
4
0.00000
-0.02516
-0.01534
5
0.00000
0.04034
0.02193
6
0.00000
-0.04034
0.02193
7
0.00000
0.00402
-0.03015
8
0.00000
-0.00402
-0.03015
9
0.00000
0.00858
-0.00617
10
0.00000
-0.00858
-0.00617
11
0.00000
0.00793
0.08372
12
0.00000
-0.00793
0.08372
13
0.00000
-0.00548
-0.09540
14
0.00000
0.00548
-0.09540
15
0.00000
-0.05834
0.00990
16
0.00000
0.05834
0.00990
17
0.00000
-0.01943
-0.00171
18
0.00000
0.01943
-0.00171
19
0.00000
-0.02808
0.01381
20
0.00000
0.02808
0.01381
21
0.00000
-0.06538
0.09213
22
0.00000
0.06538
0.09213
23
0.00000
0.17379
0.19111
24
0.00000
-0.17379
0.19111
25
0.00000
0.21749
-0.22744
26
0.00000
-0.21749
-0.22744
27
0.00000
-0.06708
0.03828
28
0.00000
0.06708
0.03828
29
0.00000
-0.01889
0.04484
30
0.00000
0.01889
0.04484
31
0.00000
-0.07908
-0.01324
32
0.00000
0.07908
-0.01324