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	hartrees
Energy at 0K	-7739.736862
Energy at 298.15K	-7739.745813
HF Energy	-7739.736862
Nuclear repulsion energy	768.198183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	438	436	0.32
2	A₁	178	177	0.57
3	E	470	467	148.41
3	E	470	467	148.43
4	E	123	123	1.69
4	E	123	123	1.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.656
Br2	0.000	1.938	-0.044
Br3	1.678	-0.969	-0.044
Br4	-1.678	-0.969	-0.044

	N1	Br2	Br3	Br4
N1		2.0603	2.0603	2.0603
Br2	2.0603		3.3563	3.3563
Br3	2.0603	3.3563		3.3563
Br4	2.0603	3.3563	3.3563

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.080		Br2	N1	Br4	109.080
Br3	N1	Br4	109.080

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

using model chemistry: BLYP/3-21G

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	-0.372
2	Br	0.124
3	Br	0.124
4	Br	0.124

	x	y	z	Total
	0.000	0.000	-0.724	0.724
CHELPG
AIM
ESP

<r²>	433.826
(<r²>)^1/2	20.828

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

using model chemistry: BLYP/3-21G

States and conformations

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