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	hartrees
Energy at 0K	-7776.059662
Energy at 298.15K
HF Energy	-7775.747117
Nuclear repulsion energy	821.660513

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.642
Br2	0.000	1.809	-0.043
Br3	1.567	-0.905	-0.043
Br4	-1.567	-0.905	-0.043

	N1	Br2	Br3	Br4
N1		1.9343	1.9343	1.9343
Br2	1.9343		3.1337	3.1337
Br3	1.9343	3.1337		3.1337
Br4	1.9343	3.1337	3.1337

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.195		Br2	N1	Br4	108.195
Br3	N1	Br4	108.195

Number	Element	Mulliken
1	N	-0.417
2	Br	0.139
3	Br	0.139
4	Br	0.139

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

using model chemistry: B2PLYP/daug-cc-pVTZ

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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	x	y	z
x	13.873	-0.002	-0.002
y	-0.002	13.873	0.000
z	-0.002	0.000	8.599

<r²>	383.762
(<r²>)^1/2	19.590

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

using model chemistry: B2PLYP/daug-cc-pVTZ

States and conformations

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