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)
0.07100
Eigenvectors
#
X
Y
Z
1
0.00000
0.01049
0.08257
2
0.00000
-0.01049
0.08257
3
0.00000
0.03565
0.06765
4
0.00000
-0.03565
0.06765
5
0.00000
0.00913
0.02925
6
0.00000
-0.00913
0.02925
7
0.00000
0.02868
0.02955
8
0.00000
-0.02868
0.02955
9
0.00000
-0.01418
-0.08374
10
0.00000
0.01418
-0.08374
11
0.00000
0.04729
-0.05396
12
0.00000
-0.04729
-0.05396
13
0.00000
-0.03324
0.00079
14
0.00000
0.03325
0.00079
15
0.00000
-0.06598
-0.00534
16
0.00000
0.06598
-0.00534
17
0.00000
0.05729
-0.02716
18
0.00000
-0.05729
-0.02716
19
0.00000
0.01226
-0.02652
20
0.00000
-0.01226
-0.02652
21
0.00000
-0.06747
0.09652
22
0.00000
0.06747
0.09653
23
0.00000
0.04855
-0.05131
24
0.00000
-0.04855
-0.05131
25
0.00000
0.01650
-0.02935
26
0.00000
-0.01650
-0.02935
27
0.00000
-0.08736
-0.04548
28
0.00000
0.08736
-0.04548
29
0.00000
0.06006
-0.07624
30
0.00000
-0.06006
-0.07624
31
0.00000
-0.02154
-0.04992
32
0.00000
0.02154
-0.04992