WebMO Job Summary
610708: C10H16, Molecular Orbitals - Gaussian
Raw Output
Save Notes
Calculated Quantities
Expand all
Overview
Quantity
Value
Route
#N B3LYP/6-31G(d) SP GFINPUT POP=FULL Geom=Connectivity
Stoichiometry
C
10
H
16
Symmetry
C1
Basis
6-31G(d)
RB3LYP Energy
-390.660887655 Hartree
Dipole Moment
0.2486 Debye
Server
default (2770172)
CPU time
215 sec
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
3.0523060
0.10181396892
b
0.7348696
0.02451261132
c
0.6866376
0.02290376498
Molecular Orbitals
Display Range
-
/ 182
Orbital
Symmetry
Occupancy
Energy
Actions
1
-
2
-10.19033 Hartree
2
-
2
-10.18784 Hartree
3
-
2
-10.18316 Hartree
4
-
2
-10.17986 Hartree
5
-
2
-10.17725 Hartree
6
-
2
-10.17663 Hartree
7
-
2
-10.17483 Hartree
8
-
2
-10.17304 Hartree
9
-
2
-10.17203 Hartree
10
-
2
-10.16708 Hartree
11
-
2
-0.85101 Hartree
12
-
2
-0.80027 Hartree
13
-
2
-0.74258 Hartree
14
-
2
-0.73303 Hartree
15
-
2
-0.67426 Hartree
16
-
2
-0.67205 Hartree
17
-
2
-0.60422 Hartree
18
-
2
-0.59801 Hartree
19
-
2
-0.54843 Hartree
20
-
2
-0.48567 Hartree
21
-
2
-0.47580 Hartree
22
-
2
-0.45016 Hartree
23
-
2
-0.43609 Hartree
24
-
2
-0.41981 Hartree
25
-
2
-0.41351 Hartree
26
-
2
-0.40917 Hartree
27
-
2
-0.39361 Hartree
28
-
2
-0.38894 Hartree
29
-
2
-0.37877 Hartree
30
-
2
-0.36530 Hartree
31
-
2
-0.35643 Hartree
32
-
2
-0.35131 Hartree
33
-
2
-0.33448 Hartree
34
-
2
-0.32349 Hartree
35
-
2
-0.30822 Hartree
36
-
2
-0.29976 Hartree
37
-
2
-0.29523 Hartree
38
-
2
-0.19222 Hartree
39
-
0
-0.02176 Hartree
40
-
0
0.07905 Hartree
41
-
0
0.09590 Hartree
42
-
0
0.11280 Hartree
43
-
0
0.11465 Hartree
44
-
0
0.12494 Hartree
45
-
0
0.13065 Hartree
46
-
0
0.14315 Hartree
47
-
0
0.15152 Hartree
48
-
0
0.15812 Hartree
49
-
0
0.16194 Hartree
50
-
0
0.16801 Hartree
51
-
0
0.18306 Hartree
52
-
0
0.18973 Hartree
53
-
0
0.19413 Hartree
54
-
0
0.20835 Hartree
55
-
0
0.21280 Hartree
56
-
0
0.21990 Hartree
57
-
0
0.23941 Hartree
58
-
0
0.24616 Hartree
59
-
0
0.26139 Hartree
60
-
0
0.27123 Hartree
61
-
0
0.29116 Hartree
62
-
0
0.30435 Hartree
63
-
0
0.31528 Hartree
64
-
0
0.38283 Hartree
65
-
0
0.43785 Hartree
66
-
0
0.46889 Hartree
67
-
0
0.49618 Hartree
68
-
0
0.51621 Hartree
69
-
0
0.52812 Hartree
70
-
0
0.53354 Hartree
71
-
0
0.53974 Hartree
72
-
0
0.55816 Hartree
73
-
0
0.56830 Hartree
74
-
0
0.57878 Hartree
75
-
0
0.60569 Hartree
76
-
0
0.61127 Hartree
77
-
0
0.62759 Hartree
78
-
0
0.63889 Hartree
79
-
0
0.64534 Hartree
80
-
0
0.65771 Hartree
81
-
0
0.69102 Hartree
82
-
0
0.71095 Hartree
83
-
0
0.71901 Hartree
84
-
0
0.73738 Hartree
85
-
0
0.75038 Hartree
86
-
0
0.76127 Hartree
87
-
0
0.76836 Hartree
88
-
0
0.77564 Hartree
89
-
0
0.80240 Hartree
90
-
0
0.81188 Hartree
91
-
0
0.82107 Hartree
92
-
0
0.84599 Hartree
93
-
0
0.84895 Hartree
94
-
0
0.87039 Hartree
95
-
0
0.87494 Hartree
96
-
0
0.88217 Hartree
97
-
0
0.89041 Hartree
98
-
0
0.90335 Hartree
99
-
0
0.90919 Hartree
100
-
0
0.91330 Hartree
101
-
0
0.92314 Hartree
102
-
0
0.93607 Hartree
103
-
0
0.94839 Hartree
104
-
0
0.95257 Hartree
105
-
0
0.96007 Hartree
106
-
0
0.97927 Hartree
107
-
0
0.99839 Hartree
108
-
0
1.02752 Hartree
109
-
0
1.03015 Hartree
110
-
0
1.07881 Hartree
111
-
0
1.12616 Hartree
112
-
0
1.13958 Hartree
113
-
0
1.18720 Hartree
114
-
0
1.19306 Hartree
115
-
0
1.22504 Hartree
116
-
0
1.27339 Hartree
117
-
0
1.34684 Hartree
118
-
0
1.37622 Hartree
119
-
0
1.39478 Hartree
120
-
0
1.44970 Hartree
121
-
0
1.47399 Hartree
122
-
0
1.48269 Hartree
123
-
0
1.50496 Hartree
124
-
0
1.54730 Hartree
125
-
0
1.59475 Hartree
126
-
0
1.64917 Hartree
127
-
0
1.67527 Hartree
128
-
0
1.74532 Hartree
129
-
0
1.75538 Hartree
130
-
0
1.78453 Hartree
131
-
0
1.81711 Hartree
132
-
0
1.82938 Hartree
133
-
0
1.85392 Hartree
134
-
0
1.87938 Hartree
135
-
0
1.89091 Hartree
136
-
0
1.92571 Hartree
137
-
0
1.93013 Hartree
138
-
0
1.94773 Hartree
139
-
0
1.97100 Hartree
140
-
0
1.99900 Hartree
141
-
0
2.01681 Hartree
142
-
0
2.06081 Hartree
143
-
0
2.06338 Hartree
144
-
0
2.08581 Hartree
145
-
0
2.10348 Hartree
146
-
0
2.12185 Hartree
147
-
0
2.13811 Hartree
148
-
0
2.17976 Hartree
149
-
0
2.20818 Hartree
150
-
0
2.23545 Hartree
151
-
0
2.23927 Hartree
152
-
0
2.25796 Hartree
153
-
0
2.30167 Hartree
154
-
0
2.33588 Hartree
155
-
0
2.33773 Hartree
156
-
0
2.34693 Hartree
157
-
0
2.40441 Hartree
158
-
0
2.42387 Hartree
159
-
0
2.44901 Hartree
160
-
0
2.46942 Hartree
161
-
0
2.51972 Hartree
162
-
0
2.58322 Hartree
163
-
0
2.59807 Hartree
164
-
0
2.64930 Hartree
165
-
0
2.67781 Hartree
166
-
0
2.72017 Hartree
167
-
0
2.76987 Hartree
168
-
0
2.78857 Hartree
169
-
0
2.84727 Hartree
170
-
0
2.85790 Hartree
171
-
0
3.07537 Hartree
172
-
0
3.32151 Hartree
173
-
0
4.13375 Hartree
174
-
0
4.16049 Hartree
175
-
0
4.16989 Hartree
176
-
0
4.23455 Hartree
177
-
0
4.27923 Hartree
178
-
0
4.29654 Hartree
179
-
0
4.39800 Hartree
180
-
0
4.48366 Hartree
181
-
0
4.56741 Hartree
182
-
0
4.73330 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density
Quote
LENDING MONEY TO FRIENDS CAUSES THEM TO LOSE THEIR MEMORIES. -- PETER'S THEORY OF RECIPROCAL INHIBITION OF FISCAL RECALL