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	hartrees
Energy at 0K	-7731.734509
Energy at 298.15K
HF Energy	-7731.734509
Nuclear repulsion energy	826.089395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	500	492	0.00
2	A₁	205	201	0.49
3	E	571	562	101.83
3	E	571	562	101.86
4	E	141	139	0.65
4	E	141	139	0.65

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.698
Br2	0.000	1.794	-0.047
Br3	1.554	-0.897	-0.047
Br4	-1.554	-0.897	-0.047

	N1	Br2	Br3	Br4
N1		1.9424	1.9424	1.9424
Br2	1.9424		3.1074	3.1074
Br3	1.9424	3.1074		3.1074
Br4	1.9424	3.1074	3.1074

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	106.240		Br2	N1	Br4	106.240
Br3	N1	Br4	106.240

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

using model chemistry: LSDA/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	-0.263
2	Br	0.088
3	Br	0.088
4	Br	0.088

	x	y	z	Total
	0.000	0.000	-0.807	0.807
CHELPG
AIM
ESP

<r²>	377.262
(<r²>)^1/2	19.423

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

using model chemistry: LSDA/3-21G

States and conformations

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