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	hartrees
Energy at 0K	-7778.169428
Energy at 298.15K
HF Energy	-7778.169428
Nuclear repulsion energy	831.964033

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	455	455	1.18	17.32	0.02	0.04
2	A₁	223	223	0.34	13.22	0.12	0.22
3	E	608	608	39.64	6.34	0.75	0.86
3	E	608	608	39.59	6.32	0.75	0.86
4	E	153	153	0.27	4.49	0.75	0.86
4	E	153	153	0.27	4.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.616
Br2	0.000	1.788	-0.041
Br3	1.549	-0.894	-0.041
Br4	-1.549	-0.894	-0.041

	N1	Br2	Br3	Br4
N1		1.9053	1.9053	1.9053
Br2	1.9053		3.0975	3.0975
Br3	1.9053	3.0975		3.0975
Br4	1.9053	3.0975	3.0975

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	108.752		Br2	N1	Br4	108.752
Br3	N1	Br4	108.752

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

using model chemistry: B1B95/Def2TZVPP

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	-0.112
2	Br	0.037
3	Br	0.037
4	Br	0.037

	x	y	z	Total
	0.000	0.000	-0.603	0.603
CHELPG
AIM
ESP

<r²>	375.034
(<r²>)^1/2	19.366

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

using model chemistry: B1B95/Def2TZVPP

States and conformations

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