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	hartrees
Energy at 0K	-7777.146914
Energy at 298.15K
HF Energy	-7777.146914
Nuclear repulsion energy	825.638251

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	457	457	1.08	14.29	0.02	0.03
2	A₁	220	220	0.34	15.46	0.12	0.21
3	E	580	580	51.42	5.12	0.75	0.86
3	E	580	580	51.43	5.12	0.75	0.86
4	E	151	151	0.47	4.82	0.75	0.86
4	E	151	151	0.47	4.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.620
Br2	0.000	1.802	-0.041
Br3	1.561	-0.901	-0.041
Br4	-1.561	-0.901	-0.041

	N1	Br2	Br3	Br4
N1		1.9195	1.9195	1.9195
Br2	1.9195		3.1215	3.1215
Br3	1.9195	3.1215		3.1215
Br4	1.9195	3.1215	3.1215

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.798		Br2	N1	Br4	108.798
Br3	N1	Br4	108.798

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

using model chemistry: B3PW91/Def2TZVPP

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	-0.099
2	Br	0.033
3	Br	0.033
4	Br	0.033

	x	y	z	Total
	0.000	0.000	-0.578	0.578
CHELPG
AIM
ESP

<r²>	380.352
(<r²>)^1/2	19.503

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

using model chemistry: B3PW91/Def2TZVPP

States and conformations

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