WebMO Job Summary

609255: C19H15Cl, Natural Bond Orbitals - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry C19H15Cl
Symmetry C1
Basis 6-31G(d)
RB3LYP Energy -1193.20037228 Hartree
Dipole Moment 1.8357 Debye
Server default (2753787)
CPU time 592.3 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.3523479 0.01175306085
b 0.3243791 0.01082012210
c 0.2257984 0.00753182390

Molecular Orbitals

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Orbital Symmetry Occupancy Energy Actions
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C -0.06981  
2 C -0.04314  
3 C -0.20595  
4 C -0.22656  
5 C -0.23319  
6 C -0.22478  
7 C -0.22548  
8 H 0.25465  
9 H 0.23925  
10 H 0.23787  
11 H 0.23923  
12 H 0.22541  
13 C -0.04549  
14 C -0.20056  
15 C -0.22683  
16 C -0.23220  
17 C -0.22523  
18 C -0.22925  
19 H 0.25670  
20 H 0.23898  
21 H 0.23764  
22 H 0.23890  
23 H 0.22507  
24 C -0.05711  
25 C -0.21906  
26 C -0.22630  
27 C -0.23476  
28 C -0.23211  
29 C -0.26276  
30 H 0.26141  
31 H 0.24196  
32 H 0.23915  
33 H 0.24062  
34 H 0.25675  
35 Cl -0.01303  

Natural Atomic Orbitals

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Orbital Description Occupancy Energy Actions

Natural Hybrid Orbitals

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Orbital Description Occupancy Energy Actions

Natural Bond Orbitals

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Orbital Description NHOs Occupancy Energy Actions

Quote

A ROPE OVER THE TOP OF A FENCE HAS THE SAME LENGTH ON EACH SIDE. WEIGHS 1/3 POUND PER FOOT. ON ONE END HANGS A MONKEY HOLDING A BANANA, AND ON THE OTHER END A WEIGHT EQUAL TO THE WEIGHT OF THE MONKEY. THE BANANA WEIGHS TWO OUNCES PER INCH. THE ROPE IS AS LONG AS THE AGE OF THE MONKEY, AND THE WEIGHT OF THE MONKEY (IN OUNCES) IS AS MUCH AS THE AGE OF THE MONKEY'S MOTHER. THE COMBINED AGES OF MONKEY AND MOTHER ARE THIRTY YEARS. HALF THE WEIGHT OF THE MONKEY, PLUS THE WEIGHT OF THE BANANA, IS ONE FOURTH AS MUCH AS THE WEIGHT OF THE WEIGHT AND THE ROPE. THE MONKEY'S MOTHER IS HALF AS OLD AS THE MONKEY WILL BE WHEN IT IS 3 TIMES AS OLD AS ITS MOTHER WAS WHEN SHE WAS HALF AS OLD AS THE MONKEY WILL BE WHEN IT IS AS OLD AS ITS MOTHER WILL BE WHEN SHE IS 4 TIMES AS OLD AS THE MONKEY WAS WHEN IT WAS TWICE AS OLD AS ITS MOTHER WAS WHEN SHE WAS ONE THIRD AS OLD AS THE MONKEY WAS WHEN IT WAS AS OLD AS ITS MOTHER WAS WHEN SHE WAS 3 TIMES AS OLD AS THE MONKEY WAS WHEN IT WAS AS OLD AS ITS MOTHER WAS WHEN SHE WAS 3 TIMES AS OLD AS THE MONKEY WAS WHEN IT WAS ONE FOURTH WAS OLD AS IT IS NOW. HOW LONG IS THE BANANA?