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	hartrees
Energy at 0K	-7777.364119
Energy at 298.15K	-7777.373574
HF Energy	-7777.364119
Nuclear repulsion energy	832.116769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	465	444	1.50
2	A₁	233	223	0.33
3	E	666	636	25.57
3	E	665	635	25.55
4	E	166	158	0.13
4	E	165	158	0.12

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.601
Br2	0.000	1.789	-0.040
Br3	1.550	-0.895	-0.040
Br4	-1.550	-0.895	-0.040

	N1	Br2	Br3	Br4
N1		1.9008	1.9008	1.9008
Br2	1.9008		3.0992	3.0992
Br3	1.9008	3.0992		3.0992
Br4	1.9008	3.0992	3.0992

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.218		Br2	N1	Br4	109.218
Br3	N1	Br4	109.218

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

using model chemistry: M06-2X/cc-pVTZ

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	-0.259
2	Br	0.086
3	Br	0.086
4	Br	0.086

	x	y	z	Total
	0.000	0.000	-0.660	0.660
CHELPG
AIM
ESP

	x	y	z
x	11.554	0.000	0.000
y	0.000	11.566	0.001
z	0.000	0.001	6.064

<r²>	375.586
(<r²>)^1/2	19.380

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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