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	hartrees
Energy at 0K	-7771.470473
Energy at 298.15K	-7771.480030
HF Energy	-7771.470473
Nuclear repulsion energy	831.213514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	441	401	3.10
2	A₁	244	222	0.59
3	E	753	683	7.46
3	E	753	683	7.46
4	E	177	161	0.01
4	E	177	161	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.540
Br2	0.000	1.796	-0.036
Br3	1.556	-0.898	-0.036
Br4	-1.556	-0.898	-0.036

	N1	Br2	Br3	Br4
N1		1.8864	1.8864	1.8864
Br2	1.8864		3.1114	3.1114
Br3	1.8864	3.1114		3.1114
Br4	1.8864	3.1114	3.1114

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	111.116		Br2	N1	Br4	111.116
Br3	N1	Br4	111.116

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

using model chemistry: HF/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	-0.579
2	Br	0.193
3	Br	0.193
4	Br	0.193

	x	y	z	Total
	0.000	0.000	-0.923	0.923
CHELPG
AIM
ESP

<r²>	377.464
(<r²>)^1/2	19.428

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

using model chemistry: HF/cc-pVDZ

States and conformations

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