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	hartrees
Energy at 0K	-7738.688588
Energy at 298.15K	-7738.697822
HF Energy	-7738.688588
Nuclear repulsion energy	796.879234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	438	421	1.11
2	A₁	214	206	0.58
3	E	580	558	93.73
3	E	580	558	93.77
4	E	145	140	0.47
4	E	145	140	0.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.638
Br2	0.000	1.868	-0.043
Br3	1.617	-0.934	-0.043
Br4	-1.617	-0.934	-0.043

	N1	Br2	Br3	Br4
N1		1.9877	1.9877	1.9877
Br2	1.9877		3.2347	3.2347
Br3	1.9877	3.2347		3.2347
Br4	1.9877	3.2347	3.2347

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.913		Br2	N1	Br4	108.913
Br3	N1	Br4	108.913

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

using model chemistry: HSEh1PBE/3-21G

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	-0.540
2	Br	0.180
3	Br	0.180
4	Br	0.180

	x	y	z	Total
	0.000	0.000	-1.060	1.060
CHELPG
AIM
ESP

<r²>	405.717
(<r²>)^1/2	20.142

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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