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)
0.14600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.00028
0.00045
2
0.00000
0.00028
-0.00045
3
0.00000
-0.00017
0.00011
4
0.00000
-0.00017
-0.00011
5
0.00000
0.00096
-0.00058
6
0.00000
0.00096
0.00058
7
0.00000
-0.00003
0.00011
8
0.00000
-0.00003
-0.00011
9
0.00000
-0.00685
-0.01212
10
0.00000
-0.00685
0.01212
11
0.00000
-0.00444
0.00590
12
0.00000
-0.00444
-0.00590
13
0.00000
-0.02159
-0.03699
14
0.00000
-0.02159
0.03698
15
0.00000
0.03407
0.00123
16
0.00000
0.03406
-0.00123
17
0.00000
0.00328
-0.00015
18
0.00000
0.00328
0.00015
19
0.00000
-0.00249
0.00436
20
0.00000
-0.00249
-0.00436
21
0.00000
-0.40533
-0.00325
22
0.00000
-0.40529
0.00325
23
0.00000
0.04964
-0.07850
24
0.00000
0.04963
0.07849
25
0.00000
0.24591
0.43770
26
0.00000
0.24589
-0.43766
27
0.00000
0.08178
0.14255
28
0.00000
0.08178
-0.14255
29
0.00000
-0.03833
0.00071
30
0.00000
-0.03833
-0.00071
31
0.00000
0.03033
-0.05191
32
0.00000
0.03033
0.05191