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	hartrees
Energy at 0K	-7739.755491
Energy at 298.15K	-7739.764666
HF Energy	-7739.755491
Nuclear repulsion energy	787.442827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	445	430	0.93
2	A₁	205	198	0.60
3	E	550	531	101.11
3	E	550	531	101.12
4	E	140	136	0.71
4	E	140	136	0.71

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.648
Br2	0.000	1.890	-0.043
Br3	1.637	-0.945	-0.043
Br4	-1.637	-0.945	-0.043

	N1	Br2	Br3	Br4
N1		2.0121	2.0121	2.0121
Br2	2.0121		3.2732	3.2732
Br3	2.0121	3.2732		3.2732
Br4	2.0121	3.2732	3.2732

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.849		Br2	N1	Br4	108.849
Br3	N1	Br4	108.849

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

using model chemistry: B3LYPultrafine/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	-0.483
2	Br	0.161
3	Br	0.161
4	Br	0.161

	x	y	z	Total
	0.000	0.000	-0.977	0.977
CHELPG
AIM
ESP

<r²>	414.458
(<r²>)^1/2	20.358

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

using model chemistry: B3LYPultrafine/3-21G

States and conformations

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