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	hartrees
Energy at 0K	-7776.049082
Energy at 298.15K	-7776.058362
HF Energy	-7776.049082
Nuclear repulsion energy	821.271587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	457	438	0.66
2	A₁	220	211	0.37
3	E	581	557	62.99
3	E	581	557	62.99
4	E	152	145	0.61
4	E	152	145	0.61

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.616
Br2	0.000	1.812	-0.041
Br3	1.570	-0.906	-0.041
Br4	-1.570	-0.906	-0.041

	N1	Br2	Br3	Br4
N1		1.9279	1.9279	1.9279
Br2	1.9279		3.1391	3.1391
Br3	1.9279	3.1391		3.1391
Br4	1.9279	3.1391	3.1391

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.004		Br2	N1	Br4	109.004
Br3	N1	Br4	109.004

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

using model chemistry: PBE1PBE/6-311G*

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	-0.466
2	Br	0.155
3	Br	0.155
4	Br	0.155

	x	y	z	Total
	0.000	0.000	-0.832	0.832
CHELPG
AIM
ESP

<r²>	384.287
(<r²>)^1/2	19.603

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

using model chemistry: PBE1PBE/6-311G*

States and conformations

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