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	hartrees
Energy at 0K	-7770.282980
Energy at 298.15K	-7770.292155
HF Energy	-7770.282980
Nuclear repulsion energy	797.441260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	445	425	1.04
2	A₁	205	196	0.48
3	E	553	528	79.70
3	E	553	527	79.91
4	E	141	134	0.39
4	E	141	134	0.39

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.693
Br2	0.000	1.861	-0.046
Br3	1.612	-0.931	-0.046
Br4	-1.612	-0.931	-0.046

	N1	Br2	Br3	Br4
N1		2.0026	2.0026	2.0026
Br2	2.0026		3.2239	3.2239
Br3	2.0026	3.2239		3.2239
Br4	2.0026	3.2239	3.2239

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.209		Br2	N1	Br4	107.209
Br3	N1	Br4	107.209

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

using model chemistry: B1B95/6-31G

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	-0.626
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>	404.175
(<r²>)^1/2	20.104

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

using model chemistry: B1B95/6-31G

States and conformations

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