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	hartrees
Energy at 0K	-7740.478911
Energy at 298.15K	-7740.488142
HF Energy	-7740.478911
Nuclear repulsion energy	812.742866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	473	455	0.01
2	A₁	206	198	0.47
3	E	569	548	67.22
3	E	569	548	67.20
4	E	144	139	0.59
4	E	144	139	0.59

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.690
Br2	0.000	1.825	-0.046
Br3	1.581	-0.913	-0.046
Br4	-1.581	-0.913	-0.046

	N1	Br2	Br3	Br4
N1		1.9681	1.9681	1.9681
Br2	1.9681		3.1616	3.1616
Br3	1.9681	3.1616		3.1616
Br4	1.9681	3.1616	3.1616

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	106.874		Br2	N1	Br4	106.874
Br3	N1	Br4	106.874

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	N	-0.285
2	Br	0.095
3	Br	0.095
4	Br	0.095

	x	y	z	Total
	0.000	0.000	-0.853	0.853
CHELPG
AIM
ESP

<r²>	389.154
(<r²>)^1/2	19.727

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

using model chemistry: B3LYP/3-21G*

States and conformations

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