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	hartrees
Energy at 0K	-7735.371278
Energy at 298.15K	-7735.380603
HF Energy	-7734.831972
Nuclear repulsion energy	815.946315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	450	430	0.19
2	A₁	218	208	0.33
3	E	623	595	25.34
3	E	623	595	25.33
4	E	155	148	0.21
4	E	155	148	0.21

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.711
Br2	0.000	1.816	-0.047
Br3	1.573	-0.908	-0.047
Br4	-1.573	-0.908	-0.047

	N1	Br2	Br3	Br4
N1		1.9679	1.9679	1.9679
Br2	1.9679		3.1453	3.1453
Br3	1.9679	3.1453		3.1453
Br4	1.9679	3.1453	3.1453

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	106.095		Br2	N1	Br4	106.095
Br3	N1	Br4	106.095

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

using model chemistry: CCD/3-21G*

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

using model chemistry: CCD/3-21G*

States and conformations

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