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	hartrees
Energy at 0K	-7768.078497
Energy at 298.15K	-7768.087470
HF Energy	-7768.078497
Nuclear repulsion energy	776.745781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	452	446	0.37
2	A₁	181	178	0.53
3	E	475	469	141.68
3	E	475	469	141.72
4	E	124	122	1.17
4	E	124	122	1.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.705
Br2	0.000	1.911	-0.047
Br3	1.655	-0.956	-0.047
Br4	-1.655	-0.956	-0.047

	N1	Br2	Br3	Br4
N1		2.0541	2.0541	2.0541
Br2	2.0541		3.3107	3.3107
Br3	2.0541	3.3107		3.3107
Br4	2.0541	3.3107	3.3107

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.389		Br2	N1	Br4	107.389
Br3	N1	Br4	107.389

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

using model chemistry: PBEPBE/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	-0.503
2	Br	0.168
3	Br	0.168
4	Br	0.168

	x	y	z	Total
	0.000	0.000	-0.837	0.837
CHELPG
AIM
ESP

<r²>	424.275
(<r²>)^1/2	20.598

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

using model chemistry: PBEPBE/6-31G

States and conformations

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