WebMO Job Summary
2904: C2H4 AK, Molecular Orbitals - Gaussian
Raw Output
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Calculated Quantities
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Overview
Quantity
Value
Route
#N HF/6-31G(d) SP GFINPUT POP=FULL Geom=Connectivity
Stoichiometry
C
2
H
4
Symmetry
D2H
Basis
6-31G(d)
RHF Energy
-78.031718132 Hartree
Dipole Moment
0.0000 Debye
Server
pauling.cs.moravian.edu (20192)
CPU time
1.5 sec
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
149.9922186
5.00320186841
b
30.6970176
1.02394229010
c
25.4819483
0.84998630286
Partial Charges
Atom
Symbol
Charge
1
C
-0.352732
2
C
-0.352732
3
H
0.176366
4
H
0.176366
5
H
0.176366
6
H
0.176366
Molecular Orbitals
Display Range
-
/ 38
Orbital
Symmetry
Occupancy
Energy
Actions
1
AG
2
-11.22431 Hartree
2
B1U
2
-11.22251 Hartree
3
AG
2
-1.03316 Hartree
4
B1U
2
-0.78962 Hartree
5
B2U
2
-0.64065 Hartree
6
AG
2
-0.58657 Hartree
7
B3G
2
-0.50195 Hartree
8
B3U
2
-0.37438 Hartree
9
B2G
0
0.18391 Hartree
10
AG
0
0.26683 Hartree
11
B2U
0
0.29315 Hartree
12
B1U
0
0.31113 Hartree
13
B3G
0
0.39306 Hartree
14
B1U
0
0.49573 Hartree
15
AG
0
0.66186 Hartree
16
B2U
0
0.76787 Hartree
17
B3U
0
0.77265 Hartree
18
AG
0
0.85241 Hartree
19
B2G
0
0.89375 Hartree
20
B1U
0
0.96621 Hartree
21
B2U
0
1.11001 Hartree
22
B3G
0
1.16371 Hartree
23
AG
0
1.21230 Hartree
24
B1U
0
1.22155 Hartree
25
B1U
0
1.34408 Hartree
26
B3G
0
1.48533 Hartree
27
B3U
0
1.74783 Hartree
28
B1G
0
1.81518 Hartree
29
AU
0
2.13740 Hartree
30
AG
0
2.20066 Hartree
31
B2U
0
2.34018 Hartree
32
AG
0
2.41935 Hartree
33
B1U
0
2.63900 Hartree
34
B2G
0
2.73147 Hartree
35
B3G
0
3.08551 Hartree
36
B1U
0
3.08889 Hartree
37
AG
0
4.53181 Hartree
38
B1U
0
4.67325 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density
Quote
THESE ARE THE TIMES THAT TRY MENS SOULS. THE SUMMER SOLDIER AND THE SUNSHINE PATRIOT WILL IN THIS CRISIS, SHRINK FROM THE SERVICE OF HIS COUNTRY. BUT HE THAT STANDS NOW, DESERVES THE LOVE AND THANKS OF MAN AND WOMAN. TYRANNY, LIKE HELL, IS NOT EASILY CONQUERED, YET WE HAVE THIS CONSOLATION WITH US, THAT THE HARDER THE CONFLICT, THE MORE GLORIOUS THE TRIUMPH. WHAT WE OBTAIN TOO CHEAP, WE ESTEEM TOO LIGHTLY, 'TIS DEARNESS ONLY THAT GIVES EVERYTHING ITS VALUE. -- TOM PAINE