WebMO Job Summary
1721: JWN C6H10 DA TR MO, 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
6
H
10
Symmetry
C1
Basis
6-31G(d)
RHF Energy
-232.87960542 Hartree
Dipole Moment
0.5065 Debye
Server
pauling.cs.moravian.edu (30635)
CPU time
5 sec
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
4.4413494
0.14814746941
b
3.5969694
0.11998198434
c
2.3356623
0.07790930818
Partial Charges
Atom
Symbol
Charge
1
C
-0.398144
2
C
-0.152409
3
C
-0.152469
4
C
-0.398088
5
H
0.180287
6
H
0.195085
7
H
0.177523
8
H
0.177553
9
H
0.195126
10
H
0.180316
11
C
-0.372720
12
C
-0.372815
13
H
0.189100
14
H
0.181210
15
H
0.189076
16
H
0.181369
Molecular Orbitals
Display Range
-
/ 110
Orbital
Symmetry
Occupancy
Energy
Actions
1
-
2
-11.23002 Hartree
2
-
2
-11.22999 Hartree
3
-
2
-11.22310 Hartree
4
-
2
-11.22185 Hartree
5
-
2
-11.21337 Hartree
6
-
2
-11.21220 Hartree
7
-
2
-1.09227 Hartree
8
-
2
-1.01124 Hartree
9
-
2
-0.97436 Hartree
10
-
2
-0.84737 Hartree
11
-
2
-0.79362 Hartree
12
-
2
-0.71190 Hartree
13
-
2
-0.66752 Hartree
14
-
2
-0.63499 Hartree
15
-
2
-0.58985 Hartree
16
-
2
-0.56484 Hartree
17
-
2
-0.56184 Hartree
18
-
2
-0.51608 Hartree
19
-
2
-0.50093 Hartree
20
-
2
-0.48401 Hartree
21
-
2
-0.47227 Hartree
22
-
2
-0.30031 Hartree
23
-
2
-0.29616 Hartree
24
-
0
0.13919 Hartree
25
-
0
0.16531 Hartree
26
-
0
0.23871 Hartree
27
-
0
0.25716 Hartree
28
-
0
0.29471 Hartree
29
-
0
0.29534 Hartree
30
-
0
0.30229 Hartree
31
-
0
0.31745 Hartree
32
-
0
0.33079 Hartree
33
-
0
0.35450 Hartree
34
-
0
0.36046 Hartree
35
-
0
0.39367 Hartree
36
-
0
0.42304 Hartree
37
-
0
0.46331 Hartree
38
-
0
0.49414 Hartree
39
-
0
0.53908 Hartree
40
-
0
0.61428 Hartree
41
-
0
0.65566 Hartree
42
-
0
0.69927 Hartree
43
-
0
0.71590 Hartree
44
-
0
0.77646 Hartree
45
-
0
0.79163 Hartree
46
-
0
0.80233 Hartree
47
-
0
0.83112 Hartree
48
-
0
0.86887 Hartree
49
-
0
0.87493 Hartree
50
-
0
0.89982 Hartree
51
-
0
0.91131 Hartree
52
-
0
0.93557 Hartree
53
-
0
1.00476 Hartree
54
-
0
1.02785 Hartree
55
-
0
1.07856 Hartree
56
-
0
1.12348 Hartree
57
-
0
1.13522 Hartree
58
-
0
1.14204 Hartree
59
-
0
1.16275 Hartree
60
-
0
1.16456 Hartree
61
-
0
1.17901 Hartree
62
-
0
1.22478 Hartree
63
-
0
1.23138 Hartree
64
-
0
1.23484 Hartree
65
-
0
1.26126 Hartree
66
-
0
1.26850 Hartree
67
-
0
1.30474 Hartree
68
-
0
1.33267 Hartree
69
-
0
1.37964 Hartree
70
-
0
1.41639 Hartree
71
-
0
1.49724 Hartree
72
-
0
1.54236 Hartree
73
-
0
1.65880 Hartree
74
-
0
1.67098 Hartree
75
-
0
1.77441 Hartree
76
-
0
1.81459 Hartree
77
-
0
1.90515 Hartree
78
-
0
1.90895 Hartree
79
-
0
2.03749 Hartree
80
-
0
2.07382 Hartree
81
-
0
2.11250 Hartree
82
-
0
2.23683 Hartree
83
-
0
2.25858 Hartree
84
-
0
2.28799 Hartree
85
-
0
2.30955 Hartree
86
-
0
2.34151 Hartree
87
-
0
2.37627 Hartree
88
-
0
2.38946 Hartree
89
-
0
2.42310 Hartree
90
-
0
2.48522 Hartree
91
-
0
2.53200 Hartree
92
-
0
2.53744 Hartree
93
-
0
2.58947 Hartree
94
-
0
2.61380 Hartree
95
-
0
2.61915 Hartree
96
-
0
2.78154 Hartree
97
-
0
2.89984 Hartree
98
-
0
2.93519 Hartree
99
-
0
2.96617 Hartree
100
-
0
2.96948 Hartree
101
-
0
3.04228 Hartree
102
-
0
3.06681 Hartree
103
-
0
3.25218 Hartree
104
-
0
3.44425 Hartree
105
-
0
4.56151 Hartree
106
-
0
4.67644 Hartree
107
-
0
4.70944 Hartree
108
-
0
4.72740 Hartree
109
-
0
4.86854 Hartree
110
-
0
4.97599 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density
Quote
A DANDELION FROM A LOVER MEANS MORE THAN AN ORCHID FROM A FRIEND.