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	hartrees
Energy at 0K	-7738.264736
Energy at 298.15K	-7738.273851
HF Energy	-7738.169429
Nuclear repulsion energy	784.699590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	412	393	2.07
2	A₁	199	190	0.75
3	E	539	513	68.36
3	E	539	513	68.37
4	E	139	132	0.50
4	E	139	132	0.50

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.682
Br2	0.000	1.894	-0.045
Br3	1.640	-0.947	-0.045
Br4	-1.640	-0.947	-0.045

	N1	Br2	Br3	Br4
N1		2.0285	2.0285	2.0285
Br2	2.0285		3.2797	3.2797
Br3	2.0285	3.2797		3.2797
Br4	2.0285	3.2797	3.2797

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	107.880		Br2	N1	Br4	107.880
Br3	N1	Br4	107.880

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G

States and conformations

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