WebMO Job Summary
609261: C5H9(+1), Molecular Orbitals - Gaussian
Raw Output
Save Notes
Calculated Quantities
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Overview
Quantity
Value
Route
#N B3LYP/6-31G(d) SP GFINPUT POP=FULL Geom=Connectivity
Stoichiometry
C
5
H
9
(1+)
Symmetry
CS
Basis
6-31G(d)
RB3LYP Energy
-195.628725795 Hartree
Dipole Moment
0.2413 Debye
Server
default (2753796)
CPU time
23.5 sec
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
7.6837460
0.25630217822
b
3.7682612
0.12569566376
c
2.6117643
0.08711907956
Molecular Orbitals
Display Range
-
/ 93
Orbital
Symmetry
Occupancy
Energy
Actions
1
-
2
-10.51168 Hartree
2
-
2
-10.42592 Hartree
3
-
2
-10.41849 Hartree
4
-
2
-10.39505 Hartree
5
-
2
-10.39096 Hartree
6
-
2
-1.03960 Hartree
7
-
2
-0.96888 Hartree
8
-
2
-0.90853 Hartree
9
-
2
-0.82227 Hartree
10
-
2
-0.73991 Hartree
11
-
2
-0.69222 Hartree
12
-
2
-0.66262 Hartree
13
-
2
-0.64368 Hartree
14
-
2
-0.60738 Hartree
15
-
2
-0.59959 Hartree
16
-
2
-0.59471 Hartree
17
-
2
-0.57031 Hartree
18
-
2
-0.55801 Hartree
19
-
2
-0.51380 Hartree
20
-
0
-0.32982 Hartree
21
-
0
-0.16495 Hartree
22
-
0
-0.08549 Hartree
23
-
0
-0.07473 Hartree
24
-
0
-0.05983 Hartree
25
-
0
-0.04369 Hartree
26
-
0
-0.02384 Hartree
27
-
0
-0.01048 Hartree
28
-
0
-0.00975 Hartree
29
-
0
0.00196 Hartree
30
-
0
0.02219 Hartree
31
-
0
0.05478 Hartree
32
-
0
0.06604 Hartree
33
-
0
0.13888 Hartree
34
-
0
0.19691 Hartree
35
-
0
0.26229 Hartree
36
-
0
0.30023 Hartree
37
-
0
0.30268 Hartree
38
-
0
0.33395 Hartree
39
-
0
0.35624 Hartree
40
-
0
0.38263 Hartree
41
-
0
0.40774 Hartree
42
-
0
0.45474 Hartree
43
-
0
0.47554 Hartree
44
-
0
0.47935 Hartree
45
-
0
0.49750 Hartree
46
-
0
0.51610 Hartree
47
-
0
0.56230 Hartree
48
-
0
0.57847 Hartree
49
-
0
0.64536 Hartree
50
-
0
0.66989 Hartree
51
-
0
0.67478 Hartree
52
-
0
0.71214 Hartree
53
-
0
0.71559 Hartree
54
-
0
0.74860 Hartree
55
-
0
0.75899 Hartree
56
-
0
0.77587 Hartree
57
-
0
0.78501 Hartree
58
-
0
0.82153 Hartree
59
-
0
0.92935 Hartree
60
-
0
0.93535 Hartree
61
-
0
1.03958 Hartree
62
-
0
1.10946 Hartree
63
-
0
1.18459 Hartree
64
-
0
1.20052 Hartree
65
-
0
1.24227 Hartree
66
-
0
1.26461 Hartree
67
-
0
1.43503 Hartree
68
-
0
1.48763 Hartree
69
-
0
1.59774 Hartree
70
-
0
1.62905 Hartree
71
-
0
1.64796 Hartree
72
-
0
1.68231 Hartree
73
-
0
1.74010 Hartree
74
-
0
1.82686 Hartree
75
-
0
1.87123 Hartree
76
-
0
1.94733 Hartree
77
-
0
1.97080 Hartree
78
-
0
1.98444 Hartree
79
-
0
2.02432 Hartree
80
-
0
2.07409 Hartree
81
-
0
2.14437 Hartree
82
-
0
2.15248 Hartree
83
-
0
2.22823 Hartree
84
-
0
2.25684 Hartree
85
-
0
2.33596 Hartree
86
-
0
2.42227 Hartree
87
-
0
2.61269 Hartree
88
-
0
2.68465 Hartree
89
-
0
3.78933 Hartree
90
-
0
3.92126 Hartree
91
-
0
4.04272 Hartree
92
-
0
4.07973 Hartree
93
-
0
4.24786 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density
Quote
REALITY IS FOR PEOPLE WHO CAN'T FACE SCIENCE FICTION.