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	hartrees
Energy at 0K	-7768.339001
Energy at 298.15K	-7768.348231
HF Energy	-7768.339001
Nuclear repulsion energy	823.417567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	487	482	1.55
2	A₁	211	209	0.44
3	E	542	536	97.54
3	E	542	536	97.55
4	E	144	142	1.01
4	E	144	142	1.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.647
Br2	0.000	1.805	-0.043
Br3	1.563	-0.902	-0.043
Br4	-1.563	-0.902	-0.043

	N1	Br2	Br3	Br4
N1		1.9322	1.9322	1.9322
Br2	1.9322		3.1260	3.1260
Br3	1.9322	3.1260		3.1260
Br4	1.9322	3.1260	3.1260

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.978		Br2	N1	Br4	107.978
Br3	N1	Br4	107.978

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	N	-0.832
2	Br	0.277
3	Br	0.277
4	Br	0.277

	x	y	z	Total
	0.000	0.000	-0.468	0.468
CHELPG
AIM
ESP

	x	y	z
x	14.205	0.000	0.000
y	0.000	14.206	-0.001
z	0.000	-0.001	8.161

<r²>	381.890
(<r²>)^1/2	19.542

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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