Charge: 1
Inchi:1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/q+1
Electronic States
Energy
(eV)
-768.18063
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
Cs
Symmetry Elements
E
sigmah(xy)
Rotational Constants
(cm-1)
0.02857 b
(cm-1)
0.00852 c
(cm-1)
0.00656
Dipole Moments
mu_x(Debye)
-0.12448 mu_y
(Debye)
-0.13148 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.03000
Diff mu Y
(Debye)
1.88400
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.02618
0.06465
0.00000
2
0.01076
-0.04117
0.00000
3
-0.01354
0.03063
0.00000
4
-0.05163
-0.13660
0.00000
5
0.00368
0.02930
0.00000
6
0.08643
-0.06567
0.00000
7
0.02346
0.03114
0.00000
8
0.03265
-0.01495
0.00000
9
-0.02336
0.00216
0.00000
10
-0.02671
-0.01544
0.00000
11
0.01583
-0.04070
0.00000
12
-0.03095
0.01294
0.00000
13
0.01496
-0.00925
0.00000
14
0.00633
0.01358
0.00000
15
-0.00167
-0.00485
0.00000
16
0.00342
0.05202
0.00000
17
-0.00337
-0.02876
0.00000
18
0.00169
0.02048
0.00000
19
0.01105
0.00292
0.00000
20
-0.01066
0.00089
0.00000
21
-0.08000
0.15870
0.00000
22
0.10803
0.18257
0.00000
23
0.00320
0.09261
0.00000
24
-0.16904
0.13413
0.00000
25
0.05373
0.28619
0.00000
26
-0.02417
-0.14192
0.00000
27
-0.18170
0.23569
0.00000
28
0.08962
0.07425
0.00000
29
-0.01592
-0.00204
0.00000
30
-0.05323
0.08062
0.00000
31
0.00888
0.01903
0.00000
32
-0.00374
0.03154
0.00000