WXY2333

NH3

         Item               Value     Threshold  Converged?
 Maximum Force            0.000004     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.000072     0.001800     YES
 RMS     Displacement     0.000035     0.001200     YES
 Predicted change in Energy=-5.986271D-10
Optimization completed.
    -- Stationary point found.

Calculation Type	FREQ
Calculation Method	RB3LYP
Basis Set	6-31G(d,p)
Charge	0
Spin	Singlet
E(RB3LYP)	-56.55776873
RMS Gradient Norm	0.00000485
Imaginary Freq	0
Dipole Moment	1.8466
Point Group	C3V

N2

Calculation Type	FREQ
Calculation Method	RB3LYP
Basis Set	6-31G(d,p)
Charge	0
Spin	Singlet
E(RB3LYP)	-109.52412868
RMS Gradient Norm	0.00000060
Imaginary Freq	0
Dipole Moment	0.0000
Point Group	D*H

H2

File Name	XIAOYUN2816H2OP
File Type	.log
Calculation Type	FREQ
Calculation Method	RB3LYP
Basis Set	6-31G(d,p)
Charge	0
Spin	Singlet
E(RB3LYP)	-1.17853935
RMS Gradient Norm	0.00003809
Imaginary Freq	0
Dipole Moment	0.0000
Point Group	D*H