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	hartrees
Energy at 0K	-7772.159303
Energy at 298.15K
HF Energy	-7771.485059
Nuclear repulsion energy	820.206790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	460	460	1.28
2	A₁	220	220	0.35
3	E	612	612	19.73
3	E	612	612	19.73
4	E	158	158	0.20
4	E	158	158	0.20

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.652
Br2	0.000	1.812	-0.043
Br3	1.569	-0.906	-0.043
Br4	-1.569	-0.906	-0.043

	N1	Br2	Br3	Br4
N1		1.9404	1.9404	1.9404
Br2	1.9404		3.1379	3.1379
Br3	1.9404	3.1379		3.1379
Br4	1.9404	3.1379	3.1379

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.913		Br2	N1	Br4	107.913
Br3	N1	Br4	107.913

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

using model chemistry: CCSD=FULL/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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All results from a given calculation for NBr3 (Nitrogen Tribromide)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

States and conformations

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