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	hartrees
Energy at 0K	-7777.149995
Energy at 298.15K
HF Energy	-7777.149995
Nuclear repulsion energy	823.918292

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	443	424	1.00	21.33	0.02	0.04
2	A₁	226	216	0.36	14.25	0.15	0.26
3	E	617	590	35.16	11.54	0.75	0.86
3	E	617	590	35.15	11.52	0.75	0.86
4	E	158	151	0.30	4.98	0.75	0.86
4	E	158	151	0.30	4.98	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.604
Br2	0.000	1.807	-0.040
Br3	1.565	-0.904	-0.040
Br4	-1.565	-0.904	-0.040

	N1	Br2	Br3	Br4
N1		1.9188	1.9188	1.9188
Br2	1.9188		3.1305	3.1305
Br3	1.9188	3.1305		3.1305
Br4	1.9188	3.1305	3.1305

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.327		Br2	N1	Br4	109.327
Br3	N1	Br4	109.327

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

using model chemistry: wB97X-D/6-311G**

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	-0.477
2	Br	0.159
3	Br	0.159
4	Br	0.159

	x	y	z	Total
	0.000	0.000	-0.883	0.883
CHELPG
AIM
ESP

	x	y	z
x	10.420	0.000	0.000
y	0.000	10.423	-0.000
z	0.000	-0.000	4.695

<r²>	382.223
(<r²>)^1/2	19.551

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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