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	hartrees
Energy at 0K	-7772.153863
Energy at 298.15K
HF Energy	-7771.485398
Nuclear repulsion energy	819.630024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	444	444	0.56	1.23	0.17	0.28
2	A₁	217	217	0.36	8.56	0.07	0.13
3	E	579	579	20.89	1.07	0.75	0.86
3	E	579	579	20.89	1.07	0.75	0.86
4	E	153	153	0.33	2.73	0.75	0.86
4	E	153	153	0.33	2.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.684
Br2	0.000	1.810	-0.046
Br3	1.568	-0.905	-0.046
Br4	-1.568	-0.905	-0.046

	N1	Br2	Br3	Br4
N1		1.9514	1.9514	1.9514
Br2	1.9514		3.1350	3.1350
Br3	1.9514	3.1350		3.1350
Br4	1.9514	3.1350	3.1350

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	106.886		Br2	N1	Br4	106.886
Br3	N1	Br4	106.886

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

using model chemistry: MP2=FULL/daug-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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All results from a given calculation for NBr3 (Nitrogen Tribromide)

using model chemistry: MP2=FULL/daug-cc-pVDZ

States and conformations

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