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)
0.02300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01223
0.01200
2
0.00000
0.01223
0.01200
3
0.00000
-0.00764
-0.03173
4
0.00000
0.00764
-0.03173
5
0.00000
-0.01998
0.00215
6
0.00000
0.01998
0.00215
7
0.00000
-0.07527
0.03324
8
0.00000
0.07527
0.03324
9
0.00000
-0.02232
0.00046
10
0.00000
0.02232
0.00046
11
0.00000
0.04713
0.03625
12
0.00000
-0.04713
0.03625
13
0.00000
0.03815
-0.01308
14
0.00000
-0.03815
-0.01308
15
0.00000
-0.02840
-0.01570
16
0.00000
0.02840
-0.01570
17
0.00000
0.05611
-0.00700
18
0.00000
-0.05611
-0.00700
19
0.00000
-0.12415
-0.03295
20
0.00000
0.12415
-0.03295
21
0.00000
-0.03356
0.02188
22
0.00000
0.03356
0.02188
23
0.00000
-0.13497
-0.07503
24
0.00000
0.13497
-0.07503
25
0.00000
-0.07457
0.04963
26
0.00000
0.07457
0.04963
27
0.00000
0.00855
-0.02095
28
0.00000
-0.00855
-0.02095
29
0.00000
0.06072
0.09524
30
0.00000
-0.06072
0.09524
31
0.00000
0.13409
0.12391
32
0.00000
-0.13409
0.12391