Charge: -1
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/q-1
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)
-0.08800
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00000
0.06445
0.02634
2
0.00000
0.06445
-0.02634
3
0.00000
0.03124
-0.00874
4
0.00000
0.03123
0.00874
5
0.00000
0.00045
0.07521
6
0.00000
0.00045
-0.07521
7
0.00000
-0.00836
0.00946
8
0.00000
-0.00836
-0.00946
9
0.00000
-0.10590
0.04889
10
0.00000
-0.10590
-0.04888
11
0.00000
0.03049
-0.07505
12
0.00000
0.03048
0.07505
13
0.00000
0.01125
-0.01563
14
0.00000
0.01126
0.01563
15
0.00000
-0.01319
-0.05908
16
0.00000
-0.01319
0.05908
17
0.00000
-0.00767
0.01103
18
0.00000
-0.00767
-0.01103
19
0.00000
0.00345
0.00820
20
0.00000
0.00345
-0.00820
21
0.00000
-0.01260
-0.04196
22
0.00000
-0.01260
0.04197
23
0.00000
0.03313
-0.07299
24
0.00000
0.03312
0.07299
25
0.00000
0.08888
-0.05721
26
0.00000
0.08889
0.05721
27
0.00000
-0.18914
0.09709
28
0.00000
-0.18915
-0.09708
29
0.00000
-0.00884
0.01107
30
0.00000
-0.00884
-0.01107
31
0.00000
0.01463
0.01468
32
0.00000
0.01463
-0.01468