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)
-767.76437
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01688 b
(cm-1)
0.01298 c
(cm-1)
0.00734
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.73345
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)
0.49700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.05683
-0.02817
2
0.00000
0.05683
-0.02816
3
0.00000
-0.03866
0.09516
4
0.00000
0.03866
0.09516
5
0.00000
-0.00239
-0.05054
6
0.00000
0.00239
-0.05054
7
0.00000
0.05983
-0.08053
8
0.00000
-0.05983
-0.08053
9
0.00000
0.01606
0.02310
10
0.00000
-0.01606
0.02310
11
0.00000
0.04175
-0.01251
12
0.00000
-0.04175
-0.01251
13
0.00000
0.02279
0.01550
14
0.00000
-0.02279
0.01550
15
0.00000
-0.02571
-0.01535
16
0.00000
0.02571
-0.01535
17
0.00000
-0.01306
0.04110
18
0.00000
0.01306
0.04110
19
0.00000
-0.04192
-0.01767
20
0.00000
0.04192
-0.01767
21
0.00000
-0.02779
0.00886
22
0.00000
0.02779
0.00886
23
0.00000
0.08228
0.01020
24
0.00000
-0.08227
0.01020
25
0.00000
0.01478
0.02125
26
0.00000
-0.01478
0.02124
27
0.00000
-0.14724
0.12205
28
0.00000
0.14724
0.12205
29
0.00000
-0.01328
0.15222
30
0.00000
0.01328
0.15222
31
0.00000
0.06068
0.04165
32
0.00000
-0.06068
0.04165