WebMO Job Summary

24611: H3N, Geometry Optimization - Gaussian

Calculated Quantities

Quantity Value
Route #N HF/6-31G(d) OPT(NewEstmFC) Geom=Connectivity
Geometry Sequence
Step Energy  
0 -56.1723266249  
1 -56.1841589600  
2 -56.1843498639  
3 -56.1843563293  
Animation speed  
Loop  
Stoichiometry H3N
Symmetry C3V
Basis 6-31G(d)
RHF Energy -56.1843563293 Hartree
Rotational Constants
Constant Frequency (GHz) Frequency (cm-1)
a 305.7848899 10.19988601248
b 305.7848899 10.19988601248
c 192.5897371 6.42410214002
Dipole Moment
1.9194 Debye
Partial Charges
Atom Symbol Charge
1 N -0.996036
2 H 0.332012
3 H 0.332012
4 H 0.332012
Quote IT IS A SIMPLE TASK TO MAKE THINGS COMPLEX, BUT A COMPLEX TASK TO MAKE THEM SIMPLE.
Server short (108593)
CPU time 2.9 sec