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	hartrees
Energy at 0K	-7776.112306
Energy at 298.15K
HF Energy	-7775.747411
Nuclear repulsion energy	823.967924

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	444	444	1.07	10.30	0.04	0.07
2	A₁	218	218	0.34	15.36	0.08	0.16
3	E	577	577	37.40	5.49	0.75	0.86
3	E	576	576	37.40	5.49	0.75	0.86
4	E	152	152	0.38	3.87	0.75	0.86
4	E	152	152	0.38	3.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.639
Br2	0.000	1.804	-0.043
Br3	1.562	-0.902	-0.043
Br4	-1.562	-0.902	-0.043

	N1	Br2	Br3	Br4
N1		1.9288	1.9288	1.9288
Br2	1.9288		3.1250	3.1250
Br3	1.9288	3.1250		3.1250
Br4	1.9288	3.1250	3.1250

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.206		Br2	N1	Br4	108.206
Br3	N1	Br4	108.206

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

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVTZ

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: B2PLYP=FULLultrafine/daug-cc-pVTZ

States and conformations

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