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)
-0.15400
Eigenvectors
#
X
Y
Z
1
0.00000
-0.06204
-0.01652
2
0.00000
0.06204
-0.01652
3
0.00000
0.03353
0.01000
4
0.00000
-0.03353
0.01000
5
0.00000
0.07225
0.00918
6
0.00000
-0.07225
0.00918
7
0.00000
-0.01473
-0.00203
8
0.00000
0.01473
-0.00203
9
0.00000
-0.15072
0.02344
10
0.00000
0.15072
0.02344
11
0.00000
-0.03188
-0.02912
12
0.00000
0.03188
-0.02912
13
0.00000
-0.01578
-0.01915
14
0.00000
0.01578
-0.01915
15
0.00000
0.00831
0.04170
16
0.00000
-0.00831
0.04171
17
0.00000
0.00500
0.00327
18
0.00000
-0.00500
0.00327
19
0.00000
-0.00668
-0.00273
20
0.00000
0.00668
-0.00273
21
0.00000
0.00863
-0.05055
22
0.00000
-0.00863
-0.05055
23
0.00000
0.03928
0.01464
24
0.00000
-0.03928
0.01464
25
0.00000
-0.00397
-0.02892
26
0.00000
0.00397
-0.02892
27
0.00000
0.10730
-0.14347
28
0.00000
-0.10730
-0.14347
29
0.00000
0.00541
-0.01128
30
0.00000
-0.00541
-0.01128
31
0.00000
0.00680
0.00481
32
0.00000
-0.00680
0.00481