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)
0.00000
Diff mu Z
(Debye)
-2.56300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.01584
-0.04646
2
0.00000
0.01584
-0.04646
3
0.00000
-0.01719
0.03149
4
0.00000
0.01719
0.03149
5
0.00000
0.02362
0.04145
6
0.00000
-0.02362
0.04145
7
0.00000
0.00859
0.00329
8
0.00000
-0.00859
0.00329
9
0.00000
-0.06261
0.00727
10
0.00000
0.06261
0.00727
11
0.00000
0.00490
-0.04313
12
0.00000
-0.00489
-0.04313
13
0.00000
0.04688
-0.07742
14
0.00000
-0.04688
-0.07742
15
0.00000
-0.02450
0.11637
16
0.00000
0.02450
0.11637
17
0.00000
-0.00393
-0.01884
18
0.00000
0.00393
-0.01884
19
0.00000
0.00275
0.00800
20
0.00000
-0.00275
0.00800
21
0.00000
-0.02880
-0.19456
22
0.00000
0.02880
-0.19456
23
0.00000
-0.02583
-0.06845
24
0.00000
0.02582
-0.06844
25
0.00000
-0.13325
0.01002
26
0.00000
0.13324
0.01002
27
0.00000
0.09469
-0.08732
28
0.00000
-0.09469
-0.08732
29
0.00000
-0.00312
0.06638
30
0.00000
0.00312
0.06637
31
0.00000
0.00597
0.01163
32
0.00000
-0.00597
0.01163