Charge: 0
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
Electronic States
Energy
(eV)
-768.42261
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01712 b
(cm-1)
0.01286 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03249
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)
-0.24400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00217
-0.02746
2
0.00000
0.00217
-0.02746
3
0.00000
-0.05771
-0.02772
4
0.00000
0.05771
-0.02772
5
0.00000
0.04000
0.07372
6
0.00000
-0.04000
0.07371
7
0.00000
0.09768
-0.00436
8
0.00000
-0.09768
-0.00436
9
0.00000
0.00824
-0.02360
10
0.00000
-0.00824
-0.02360
11
0.00000
0.02001
0.01502
12
0.00000
-0.02001
0.01502
13
0.00000
-0.04543
0.01453
14
0.00000
0.04543
0.01453
15
0.00000
0.01963
-0.04168
16
0.00000
-0.01962
-0.04168
17
0.00000
0.00435
0.07619
18
0.00000
-0.00435
0.07619
19
0.00000
-0.05162
-0.04667
20
0.00000
0.05162
-0.04667
21
0.00000
0.02090
0.05110
22
0.00000
-0.02090
0.05110
23
0.00000
0.01623
0.01028
24
0.00000
-0.01623
0.01028
25
0.00000
-0.03529
0.01149
26
0.00000
0.03530
0.01149
27
0.00000
0.16293
-0.11658
28
0.00000
-0.16293
-0.11657
29
0.00000
0.00493
-0.03455
30
0.00000
-0.00493
-0.03455
31
0.00000
0.00404
-0.01678
32
0.00000
-0.00404
-0.01678