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)
0.02700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.02682
0.01491
2
0.00000
0.02682
0.01491
3
0.00000
0.06625
-0.00155
4
0.00000
-0.06625
-0.00155
5
0.00000
-0.11721
0.06521
6
0.00000
0.11721
0.06521
7
0.00000
0.01603
-0.04505
8
0.00000
-0.01603
-0.04505
9
0.00000
-0.01549
-0.04642
10
0.00000
0.01549
-0.04642
11
0.00000
-0.02060
0.00400
12
0.00000
0.02060
0.00400
13
0.00000
0.02283
0.01522
14
0.00000
-0.02283
0.01522
15
0.00000
0.02160
0.00158
16
0.00000
-0.02160
0.00158
17
0.00000
-0.00757
0.02138
18
0.00000
0.00757
0.02138
19
0.00000
-0.00760
-0.00238
20
0.00000
0.00760
-0.00238
21
0.00000
0.02504
-0.25407
22
0.00000
-0.02504
-0.25407
23
0.00000
-0.04669
-0.01168
24
0.00000
0.04669
-0.01168
25
0.00000
0.18612
-0.06870
26
0.00000
-0.18612
-0.06870
27
0.00000
0.07176
-0.10938
28
0.00000
-0.07176
-0.10937
29
0.00000
-0.00786
0.10335
30
0.00000
0.00786
0.10335
31
0.00000
0.02993
0.02028
32
0.00000
-0.02993
0.02028