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	hartrees
Energy at 0K	-7777.042394
Energy at 298.15K	-7777.051643
HF Energy	-7777.042394
Nuclear repulsion energy	815.449107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	467	451	0.28
2	A₁	216	208	0.43
3	E	557	538	74.97
3	E	557	538	74.97
4	E	148	143	0.82
4	E	148	143	0.82

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.637
Br2	0.000	1.824	-0.042
Br3	1.579	-0.912	-0.042
Br4	-1.579	-0.912	-0.042

	N1	Br2	Br3	Br4
N1		1.9464	1.9464	1.9464
Br2	1.9464		3.1590	3.1590
Br3	1.9464	3.1590		3.1590
Br4	1.9464	3.1590	3.1590

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.481		Br2	N1	Br4	108.481
Br3	N1	Br4	108.481

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

using model chemistry: B3PW91/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	-0.391
2	Br	0.130
3	Br	0.130
4	Br	0.130

	x	y	z	Total
	0.000	0.000	-0.770	0.770
CHELPG
AIM
ESP

<r²>	388.452
(<r²>)^1/2	19.709

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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