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	hartrees
Energy at 0K	-7691.243694
Energy at 298.15K	-7691.253044
HF Energy	-7691.243694
Nuclear repulsion energy	809.711845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	563	497	7.26
2	A₁	238	210	0.06
3	E	706	624	73.10
3	E	706	624	73.11
4	E	158	140	0.01
4	E	158	140	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.679
Br2	0.000	1.833	-0.045
Br3	1.588	-0.917	-0.045
Br4	-1.588	-0.917	-0.045

	N1	Br2	Br3	Br4
N1		1.9712	1.9712	1.9712
Br2	1.9712		3.1756	3.1756
Br3	1.9712	3.1756		3.1756
Br4	1.9712	3.1756	3.1756

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.322		Br2	N1	Br4	107.322
Br3	N1	Br4	107.321

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

using model chemistry: HSEh1PBE/STO-3G

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	-0.189
2	Br	0.063
3	Br	0.063
4	Br	0.063

	x	y	z	Total
	0.000	0.000	-0.560	0.560
CHELPG
AIM
ESP

<r²>	390.166
(<r²>)^1/2	19.753

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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