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	hartrees
Energy at 0K	-7767.770629
Energy at 298.15K
HF Energy	-7767.663027
Nuclear repulsion energy	781.475676

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	415	415	1.70	5.43	0.25	0.40
2	A₁	190	190	0.69	15.42	0.20	0.33
3	E	510	510	59.58	6.15	0.75	0.86
3	E	510	510	59.58	6.15	0.75	0.86
4	E	133	133	0.45	7.30	0.75	0.86
4	E	133	133	0.45	7.30	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.738
Br2	0.000	1.896	-0.049
Br3	1.642	-0.948	-0.049
Br4	-1.642	-0.948	-0.049

	N1	Br2	Br3	Br4
N1		2.0535	2.0535	2.0535
Br2	2.0535		3.2846	3.2846
Br3	2.0535	3.2846		3.2846
Br4	2.0535	3.2846	3.2846

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	106.217		Br2	N1	Br4	106.217
Br3	N1	Br4	106.217

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

using model chemistry: B2PLYP=FULLultrafine/6-31G

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=FULLultrafine/6-31G

States and conformations

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