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	hartrees
Energy at 0K	-7738.261192
Energy at 298.15K	-7738.270308
HF Energy	-7738.169411
Nuclear repulsion energy	784.634348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	412	412	2.07
2	A₁	199	199	0.75
3	E	539	539	68.37
3	E	539	539	68.38
4	E	139	139	0.50
4	E	139	139	0.50

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.682
Br2	0.000	1.894	-0.045
Br3	1.640	-0.947	-0.045
Br4	-1.640	-0.947	-0.045

	N1	Br2	Br3	Br4
N1		2.0287	2.0287	2.0287
Br2	2.0287		3.2800	3.2800
Br3	2.0287	3.2800		3.2800
Br4	2.0287	3.2800	3.2800

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.878		Br2	N1	Br4	107.878
Br3	N1	Br4	107.878

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

using model chemistry: B2PLYP/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	-0.445
2	Br	0.148
3	Br	0.148
4	Br	0.148

	x	y	z	Total
	0.000	0.000	-0.996	0.996
CHELPG
AIM
ESP

<r²>	416.594
(<r²>)^1/2	20.411

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

using model chemistry: B2PLYP/3-21G

States and conformations

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