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	hartrees
Energy at 0K	-7760.645202
Energy at 298.15K	-7760.654272
HF Energy	-7760.645202
Nuclear repulsion energy	792.584871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	465	456	0.57
2	A₁	192	188	0.53
3	E	505	495	148.45
3	E	505	495	148.53
4	E	131	128	0.87
4	E	131	128	0.87

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.695
Br2	0.000	1.873	-0.046
Br3	1.622	-0.936	-0.046
Br4	-1.622	-0.936	-0.046

	N1	Br2	Br3	Br4
N1		2.0142	2.0142	2.0142
Br2	2.0142		3.2440	3.2440
Br3	2.0142	3.2440		3.2440
Br4	2.0142	3.2440	3.2440

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.272		Br2	N1	Br4	107.272
Br3	N1	Br4	107.272

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

using model chemistry: LSDA/6-31G

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	-0.567
2	Br	0.189
3	Br	0.189
4	Br	0.189

	x	y	z	Total
	0.000	0.000	-0.944	0.944
CHELPG
AIM
ESP

<r²>	408.778
(<r²>)^1/2	20.218

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

using model chemistry: LSDA/6-31G

States and conformations

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