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	hartrees
Energy at 0K	-7778.038089
Energy at 298.15K	-7778.047353
HF Energy	-7778.038089
Nuclear repulsion energy	822.319001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	454	435	0.65
2	A₁	217	208	0.38
3	E	582	558	61.00
3	E	581	557	60.93
4	E	149	143	0.56
4	E	149	143	0.56

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.619
Br2	0.000	1.810	-0.041
Br3	1.567	-0.905	-0.041
Br4	-1.567	-0.905	-0.041

	N1	Br2	Br3	Br4
N1		1.9265	1.9265	1.9265
Br2	1.9265		3.1345	3.1345
Br3	1.9265	3.1345		3.1345
Br4	1.9265	3.1345	3.1345

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.881		Br2	N1	Br4	108.881
Br3	N1	Br4	108.881

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

using model chemistry: B1B95/6-311G*

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	-0.466
2	Br	0.155
3	Br	0.155
4	Br	0.155

	x	y	z	Total
	0.000	0.000	-0.842	0.842
CHELPG
AIM
ESP

<r²>	383.197
(<r²>)^1/2	19.575

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

using model chemistry: B1B95/6-311G*

States and conformations

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