Molecular Orbital Calculations

HBr Molecular Orbital Calculations

The button HBr DZV (Bond Length) will appear in the box below. Insert information for HBr DZV (Bond Length) here and below.

HBr Bond Length

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The button HBr DZV (HOMO) will appear in the box below. Insert information for HBr DZV (HOMO) here and below.

HOMO

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The button HBr DZV (LUMO) will appear in the box below. Insert information for HBr DZV (LUMO) here and below.

LUMO

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The button HBr DZV (ESP) will appear in the box below. Insert information for HBr DZV (ESP) here and below.

Molecular Electrostatic Potential

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The button HBr DZV (PAC) will appear in the box below. Insert information for HBr DZV (PAC) here and below.

Partial Atomic Charges

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The button HBr Orbital (3S) will appear in the box below. Insert information for HBr Orbital (3S) here and below.

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The button HBr Orbital (3P1) will appear in the box below. Insert information for HBr Orbital (3P1) here and below.

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The button HBr Orbital (3P2) will appear in the box below. Insert information for HBr Orbital (3P2) here and below.

Insert more information for HBr Orbital (3P2) here.

Occupation Number	Energy (Hartrees)	Bonding	Molecular Orbital
0	0.6641	nonbonding
0	0.1362	antibonding
2	-0.4349	nonbonding
2	-0.4349	nonbonding
2	-0.5758	nonbonding
2	-1.0317	bonding
2	-3.1933	nonbonding
2	-3.1933	nonbonding
2	-3.2094	nonbonding
2	-3.2094	nonbonding
2	-3.2094	nonbonding
2	-7.4577	nonbonding
2	-7.4577	nonbonding
2	-7.4684	nonbonding
2	-9.7026	nonbonding

Based on template by A. Herráez as modified by J. Gutow

Page skeleton and JavaScript generated by export to web function using Jmol 12.2.34 2012-08-09 20:37 on Feb 25, 2013.

Using directory /Users/student2/Desktop/Carly and Jesse/Web Site/Jmol Crap
  adding JmolPopIn.js
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      ...adding HBr_DZV__HOMO_.spt
  ...jmolApplet2
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      ...adding HBr_DZV__LUMO_.spt
  ...jmolApplet3
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      ...adding HBr_DZV__ESP_.spt
  ...jmolApplet4
      ...adding HBr_DZV__PAC_.png
      ...adding HBr_DZV__PAC_.spt
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      ...adding HBr_Orbital__3S_.png
      ...adding HBr_Orbital__3S_.spt
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      ...adding HBr_Orbital__3P1_.png
      ...adding HBr_Orbital__3P1_.spt
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      ...adding HBr_Orbital__3P2_.png
      ...adding HBr_Orbital__3P2_.spt