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)
0.08400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
-0.03263
-0.00271
2
0.00000
-0.03263
0.00271
3
0.00000
-0.04767
0.00039
4
0.00000
-0.04767
-0.00039
5
0.00000
-0.00062
-0.02293
6
0.00000
-0.00062
0.02293
7
0.00000
-0.03706
0.01474
8
0.00000
-0.03706
-0.01474
9
0.00000
0.02807
-0.00963
10
0.00000
0.02807
0.00963
11
0.00000
-0.04961
-0.04049
12
0.00000
-0.04961
0.04049
13
0.00000
-0.00049
-0.05493
14
0.00000
-0.00049
0.05493
15
0.00000
-0.02087
-0.06550
16
0.00000
-0.02087
0.06550
17
0.00000
0.03600
0.05969
18
0.00000
0.03600
-0.05969
19
0.00000
0.11123
0.02713
20
0.00000
0.11123
-0.02713
21
0.00000
-0.02100
-0.08930
22
0.00000
-0.02100
0.08930
23
0.00000
-0.06874
-0.04934
24
0.00000
-0.06874
0.04934
25
0.00000
0.01725
-0.06496
26
0.00000
0.01725
0.06495
27
0.00000
0.04407
-0.01922
28
0.00000
0.04407
0.01922
29
0.00000
0.03434
0.12099
30
0.00000
0.03434
-0.12099
31
0.00000
0.15661
0.05386
32
0.00000
0.15661
-0.05386