WebMO Job Summary
24: CF(+1), Molecular Orbitals - Gaussian
Raw Output
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Calculated Quantities
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Overview
Quantity
Value
Route
#N B3LYP/6-31G(d) SP GFINPUT POP=FULL Geom=Connectivity
Stoichiometry
CF(1+)
Symmetry
C*V
Basis
6-31G(d)
RB3LYP Energy
-137.436295976 Hartree
Dipole Moment
1.0087 Debye
Server
localhost (16113)
CPU time
0.9 sec
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
0.0000000
0.00000000000
b
50.2727412
1.67691814315
c
50.2727412
1.67691814315
Molecular Orbitals
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Orbital
Symmetry
Occupancy
Spin
Energy
Actions
1
-
2
-
-25.27789 Ha
2
-
2
-
-10.83313 Ha
3
-
2
-
-1.81923 Ha
4
-
2
-
-1.12254 Ha
5
-
2
-
-0.986 Ha
6
-
2
-
-0.986 Ha
7
-
2
-
-0.79856 Ha
8
-
0
-
-0.47679 Ha
9
-
0
-
-0.47679 Ha
10
-
0
-
-0.12503 Ha
11
-
0
-
0.16239 Ha
12
-
0
-
0.16239 Ha
13
-
0
-
0.22091 Ha
14
-
0
-
0.24179 Ha
15
-
0
-
0.68159 Ha
16
-
0
-
0.806 Ha
17
-
0
-
0.806 Ha
18
-
0
-
1.0826 Ha
19
-
0
-
1.0826 Ha
20
-
0
-
1.11216 Ha
21
-
0
-
1.11216 Ha
22
-
0
-
1.33008 Ha
23
-
0
-
1.53387 Ha
24
-
0
-
1.53387 Ha
25
-
0
-
1.86504 Ha
26
-
0
-
2.18579 Ha
27
-
0
-
2.18579 Ha
28
-
0
-
2.7413 Ha
29
-
0
-
3.46579 Ha
30
-
0
-
3.83106 Ha
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density
Quote
LOVE IS BLIND, THAT'S WHY ALL THE WORLD LOVES A LOUVER.