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	hartrees
Energy at 0K	-7769.791036
Energy at 298.15K	-7769.800215
HF Energy	-7769.791036
Nuclear repulsion energy	795.669848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	448	424	0.89
2	A₁	207	196	0.51
3	E	550	521	81.52
3	E	550	520	81.54
4	E	142	134	0.44
4	E	142	134	0.44

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.688
Br2	0.000	1.866	-0.046
Br3	1.616	-0.933	-0.046
Br4	-1.616	-0.933	-0.046

	N1	Br2	Br3	Br4
N1		2.0052	2.0052	2.0052
Br2	2.0052		3.2321	3.2321
Br3	2.0052	3.2321		3.2321
Br4	2.0052	3.2321	3.2321

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.403		Br2	N1	Br4	107.403
Br3	N1	Br4	107.403

All results from a given calculation for NBr₃ (Nitrogen Tribromide)

using model chemistry: mPW1PW91/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.628
2	Br	0.209
3	Br	0.209
4	Br	0.209

	x	y	z	Total
	0.000	0.000	-1.107	1.107
CHELPG
AIM
ESP

<r²>	406.026
(<r²>)^1/2	20.150

All results from a given calculation for NBr3 (Nitrogen Tribromide)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for NBr₃ (Nitrogen Tribromide)