WebMO Job Summary

634859: CH3O2N barrierles O-atom + formamide to 11, Coordinate Scan - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-31G(d) OPT(AddRedundant) NOSYMMETRY Geom=Connectivity
Stoichiometry CH3NO2
Symmetry C1
Basis 6-31G(d)
RB3LYP Energy -244.864359656 Hartree
Dipole Moment 4.3393 Debye
Server default (4203667)
CPU time 1171.3 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 12.3813627 0.41299780463
b 4.0556470 0.13528182220
c 3.0549618 0.10190255687

Coordinate Scan

Coordinate Energy  
1.428000 -244.970229  
1.528000 -244.96722  
1.628000 -244.960219  
1.728000 -244.951263  
1.828000 -244.941626  
1.928000 -244.932085  
2.028000 -244.923057  
2.128000 -244.914738  
2.228000 -244.907202  
2.328000 -244.900459  
2.428000 -244.894487  
2.528000 -244.889242  
2.628000 -244.88466  
2.728000 -244.880672  
2.828000 -244.87721  
2.928000 -244.874209  
3.028000 -244.871612  
3.128000 -244.869369  
3.228000 -244.867437  
3.328000 -244.865779  
3.428000 -244.86436  
Animation speed  
Loop  

Quote

YE HAVE SOWN MUCH, AND BRING IN LITTLE. YE EAT, BUT YE HAVE NOT ENOUGH. YE DRINK, BUT YE ARE NOT FILLED WITH DRINK. YE CLOTHE YOU, BUT THERE IS NONE WARM. AND HE THAT EARNETH WAGES EARNETH WAGES TO PUT IT INTO A BAG WITH HOLES. HAGGAI I,6