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	hartrees
Energy at 0K	-7768.321208
Energy at 298.15K	-7768.330397
HF Energy	-7768.321208
Nuclear repulsion energy	818.857642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	481	476	0.23
2	A₁	208	205	0.47
3	E	530	525	119.49
3	E	530	524	119.54
4	E	142	140	1.32
4	E	142	140	1.32

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.644
Br2	0.000	1.815	-0.043
Br3	1.572	-0.908	-0.043
Br4	-1.572	-0.908	-0.043

	N1	Br2	Br3	Br4
N1		1.9409	1.9409	1.9409
Br2	1.9409		3.1445	3.1445
Br3	1.9409	3.1445		3.1445
Br4	1.9409	3.1445	3.1445

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.203		Br2	N1	Br4	108.203
Br3	N1	Br4	108.203

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

using model chemistry: LSDA/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	-0.351
2	Br	0.117
3	Br	0.117
4	Br	0.117

	x	y	z	Total
	0.000	0.000	-0.719	0.719
CHELPG
AIM
ESP

<r²>	385.273
(<r²>)^1/2	19.628

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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