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	hartrees
Energy at 0K	-7777.132999
Energy at 298.15K	-7777.142395
HF Energy	-7777.132999
Nuclear repulsion energy	824.644314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	458	458	1.01
2	A₁	230	230	0.38
3	E	631	631	41.45
3	E	630	630	41.81
4	E	163	163	0.29
4	E	163	163	0.28

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.601
Br2	0.000	1.806	-0.040
Br3	1.564	-0.903	-0.040
Br4	-1.564	-0.903	-0.040

	N1	Br2	Br3	Br4
N1		1.9163	1.9163	1.9163
Br2	1.9163		3.1282	3.1282
Br3	1.9163	3.1282		3.1282
Br4	1.9163	3.1282	3.1282

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.410		Br2	N1	Br4	109.410
Br3	N1	Br4	109.410

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

using model chemistry: M06-2X/6-311G**

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	-0.488
2	Br	0.163
3	Br	0.163
4	Br	0.163

	x	y	z	Total
	0.000	0.000	-0.869	0.869
CHELPG
AIM
ESP

	x	y	z
x	10.480	0.000	0.000
y	0.000	10.495	-0.002
z	0.000	-0.002	4.594

<r²>	381.999
(<r²>)^1/2	19.545

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

using model chemistry: M06-2X/6-311G**

States and conformations

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