Mod:sy4615

geometry data

	NH3
r(E-X)
θ(X-E-X)

nh3 optimisation
File Name    SHYANT_NH3_OPTF_POP
File Type    .log
Calculation Type    FREQ
Calculation Method    RB3LYP
Basis Set    6-31G(d,p)
Charge    0
Spin    Singlet
E(RB3LYP)    -56.55776873     a.u.
RMS Gradient Norm    0.00000323     a.u.
Imaginary Freq
Dipole Moment    1.8465     Debye
Point Group    C3V
Job cpu time:       0 days  0 hours  0 minutes  9.0 seconds. 

test molecule