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	hartrees
Energy at 0K	-7769.942293
Energy at 298.15K	-7769.951707
HF Energy	-7769.942293
Nuclear repulsion energy	828.682365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	478	453	0.76
2	A₁	236	223	0.37
3	E	625	591	37.60
3	E	624	591	37.71
4	E	169	160	0.29
4	E	169	160	0.29

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.637
Br2	0.000	1.794	-0.042
Br3	1.554	-0.897	-0.042
Br4	-1.554	-0.897	-0.042

	N1	Br2	Br3	Br4
N1		1.9181	1.9181	1.9181
Br2	1.9181		3.1071	3.1071
Br3	1.9181	3.1071		3.1071
Br4	1.9181	3.1071	3.1071

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.180		Br2	N1	Br4	108.180
Br3	N1	Br4	108.180

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	N	-0.386
2	Br	0.129
3	Br	0.129
4	Br	0.129

	x	y	z	Total
	0.000	0.000	-0.782	0.782
CHELPG
AIM
ESP

	x	y	z
x	10.612	0.000	0.000
y	0.000	10.622	-0.001
z	0.000	-0.001	5.329

<r²>	377.252
(<r²>)^1/2	19.423

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

using model chemistry: M06-2X/6-31G*

States and conformations

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