Post lab questionsa) According to your results, what is the bond distance that gives the minimum...

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Post lab questionsa) According to your results, what is the bond distance that gives the minimum energy b) What is the bond angle that gives the minimum bond energy for your molecule? What is the literature value for bond length when the minimum energy is achieved? Why is it important to know the bond energy of a molecule? Based on the three digital Gaussian labs (7, 8 and 9), what factor or factors determine the bond length or bond angle and why? How can computer modelling be used in Chemistry? How can computer modelling be used outside of the classroom? Compare molecular modeling to drawing structures on paper? Lab: Complete and submit a paper copy of a formal lab report (Introduction, Results, Excel Graph, Discussion/Postlab questions)

Sunny · Accepted Answer

Introduction
The term atomic orbital describes the physical space in atom where electrons are present whose linear combination gives us the concept of the molecular orbital theory which can be used to study the molecular bonding as these orbitals represent the mathematical equations.
Hartree fock theory helps us in understanding the behavior of the electron around the different atomic nuclei which leads us to the solution of these mathematical wave functions.
Bond energy serves as an important factor for understanding the structure and characteristics of different molecules. Bond energy of a molecule can be depend upon the bond length and bond angles present in the molecule. The major factors on which bond length and bond angle of a molecule depends upon are electronegativity, central atom hybridization state, lone pair and bond pair repulsion. Bond energy is inversely proportional to bond length. Bond energy also depends upon the number of bonds between two atoms for example single, double and triple bond.
Post lab questions 
a) According to your results, what is the bond distance that gives the minimum energy?
       From results, the bond distance that gives the minimum energy is 1.15 Ao.
b) What is the bond angle that gives the minimum bond energy for your molecule? 
               From results, the bond angle that gives the minimum bond energy for H2O molecule is 108o.
c) What is the literature value for bond length when the minimum energy is achieved?
             The literature value for bond length when the minimum energy is achieved is 1.26 Ao.
d) Why is it important to know the bond energy of a molecule? 
The bond energy of a molecule plays an important role in describing the structure and characteristics of a molecule.

Post lab questions a) According to your results, what is the bond distance that gives the minimum energy b) What is the bond angle that gives the minimum bond energy for your molecule? What is the...

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