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	hartrees
Energy at 0K	-94.743358
Energy at 298.15K
HF Energy	-94.743358
Nuclear repulsion energy	62.821598

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	449	449	0.25	21.34	0.00	0.00
2	A₁	217	217	0.88	22.21	0.20	0.33
3	E	590	590	75.61	19.27	0.75	0.86
3	E	590	590	75.51	19.15	0.75	0.86
4	E	150	150	0.68	8.66	0.75	0.86
4	E	150	150	0.68	8.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.635
Br2	0.000	1.880	-0.042
Br3	1.628	-0.940	-0.042
Br4	-1.628	-0.940	-0.042

	N1	Br2	Br3	Br4
N1		1.9982	1.9982	1.9982
Br2	1.9982		3.2559	3.2559
Br3	1.9982	3.2559		3.2559
Br4	1.9982	3.2559	3.2559

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.117		Br2	N1	Br4	109.117
Br3	N1	Br4	109.117

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

using model chemistry: wB97X-D/SDD

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	-0.596
2	Br	0.199
3	Br	0.199
4	Br	0.199

	x	y	z	Total
	0.000	0.000	-1.193	1.193
CHELPG
AIM
ESP

	x	y	z
x	10.752	0.000	0.000
y	0.000	10.740	0.001
z	0.000	0.001	2.896

<r²>	107.783
(<r²>)^1/2	10.382

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

using model chemistry: wB97X-D/SDD

States and conformations

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