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	hartrees
Energy at 0K	-7777.130160
Energy at 298.15K	-7777.139413
HF Energy	-7777.130160
Nuclear repulsion energy	818.666328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	459	443	1.01
2	A₁	215	207	0.45
3	E	567	547	69.42
3	E	567	547	69.43
4	E	147	142	0.70
4	E	147	142	0.70

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.620
Br2	0.000	1.818	-0.041
Br3	1.574	-0.909	-0.041
Br4	-1.574	-0.909	-0.041

	N1	Br2	Br3	Br4
N1		1.9344	1.9344	1.9344
Br2	1.9344		3.1488	3.1488
Br3	1.9344	3.1488		3.1488
Br4	1.9344	3.1488	3.1488

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.957		Br2	N1	Br4	108.957
Br3	N1	Br4	108.957

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

using model chemistry: B3PW91/TZVP

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	-0.197
2	Br	0.066
3	Br	0.066
4	Br	0.066

	x	y	z	Total
	0.000	0.000	-0.737	0.737
CHELPG
AIM
ESP

<r²>	386.432
(<r²>)^1/2	19.658

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

using model chemistry: B3PW91/TZVP

States and conformations

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