WebMO Job Summary

2311: HNC IK, Coordinate Scan - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N HF/6-31G(d) OPT(AddRedundant) NOSYMMETRY Geom=Connectivity
Stoichiometry CHN
Symmetry CS
Basis 6-31G(d)
RHF Energy -92.7709406208 Hartree
Dipole Moment 2.2640 Debye
Server pauling.cs.moravian.edu (3954)
CPU time 17.7 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 276.5478706 9.22464402357
b 56.4140882 1.88177142869
c 46.8557910 1.56294095297

Partial Charges

Atom Symbol Charge
1 N -0.483080  
2 C 0.125291  
3 H 0.357789  

Coordinate Scan

Coordinate Energy  
0.90000 -92.80068  
0.95000 -92.81319  
1.00000 -92.81922  
1.05000 -92.82049  
1.10000 -92.81824  
1.15000 -92.81345  
1.20000 -92.80682  
1.25000 -92.79889  
1.30000 -92.79008  
1.35000 -92.78068  
1.40000 -92.77094  
Animation speed  
Loop  

Quote

THE VALUE OF PHILOSOPHY IS, IN FACT, TO BE SOUGHT LARGELY IN ITS VERY UNCERTAINTY. THE MAN WHO HAS NO TINCTURE OF PHILOSOPHY GOES THROUGH LIFE IMPRISONED IN THE PREJUDICES DERIVED FROM COMMON SENSE, FROM THE HABITUAL BELIEFS OF HIS AGE OR HIS NATION, AND FROM CONVICTIONS WHICH HAVE GROWN UP IN HIS MIND WITHOUT THE CO-OPERATION OR CONSENT OF HIS DELIBERATE REASON. TO SUCH A MAN THE WORLD TENDS TO BE DEFINITE, FINITE, OBVIOUS; COMMON OBJECTS ROUSE NO QUESTIONS, AND UNFAMILIAR POSSIBILITIES ARE CONTEMPTUOUSLY REJECTED. -- BERTRAND RUSSELL