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	hartrees
Energy at 0K	-7769.760979
Energy at 298.15K	-7769.770189
HF Energy	-7769.760979
Nuclear repulsion energy	812.208656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	469	451	0.43
2	A₁	214	205	0.40
3	E	530	510	66.76
3	E	530	510	66.73
4	E	151	146	0.89
4	E	151	146	0.89

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.667
Br2	0.000	1.829	-0.044
Br3	1.584	-0.914	-0.044
Br4	-1.584	-0.914	-0.044

	N1	Br2	Br3	Br4
N1		1.9623	1.9623	1.9623
Br2	1.9623		3.1673	3.1673
Br3	1.9623	3.1673		3.1673
Br4	1.9623	3.1673	3.1673

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.618		Br2	N1	Br4	107.618
Br3	N1	Br4	107.618

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

using model chemistry: B3LYP/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	-0.330
2	Br	0.110
3	Br	0.110
4	Br	0.110

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

<r²>	390.573
(<r²>)^1/2	19.763

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

using model chemistry: B3LYP/6-31G**

States and conformations

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