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	hartrees
Energy at 0K	-7777.057400
Energy at 298.15K
HF Energy	-7777.057400
Nuclear repulsion energy	819.527745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	474	458	1.26	11.12	0.03	0.06
2	A₁	217	210	0.35	17.75	0.10	0.18
3	E	563	543	60.42	5.14	0.75	0.86
3	E	563	543	60.42	5.14	0.75	0.86
4	E	150	145	0.65	4.60	0.75	0.86
4	E	150	145	0.65	4.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.642
Br2	0.000	1.814	-0.043
Br3	1.571	-0.907	-0.043
Br4	-1.571	-0.907	-0.043

	N1	Br2	Br3	Br4
N1		1.9390	1.9390	1.9390
Br2	1.9390		3.1421	3.1421
Br3	1.9390	3.1421		3.1421
Br4	1.9390	3.1421	3.1421

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.240		Br2	N1	Br4	108.240
Br3	N1	Br4	108.240

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

using model chemistry: B3PW91/aug-cc-pVDZ

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	-0.867
2	Br	0.289
3	Br	0.289
4	Br	0.289

	x	y	z	Total
	0.000	0.000	-0.483	0.483
CHELPG
AIM
ESP

<r²>	385.266
(<r²>)^1/2	19.628

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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