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	hartrees
Energy at 0K	-7777.273923
Energy at 298.15K
HF Energy	-7777.273923
Nuclear repulsion energy	826.152613

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	444	424	1.38	18.76	0.01	0.02
2	A₁	227	217	0.41	14.11	0.15	0.27
3	E	631	603	31.78	9.27	0.75	0.86
3	E	631	603	31.80	9.29	0.75	0.86
4	E	158	151	0.23	5.45	0.75	0.86
4	E	158	151	0.23	5.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.601
Br2	0.000	1.803	-0.040
Br3	1.561	-0.901	-0.040
Br4	-1.561	-0.901	-0.040

	N1	Br2	Br3	Br4
N1		1.9132	1.9132	1.9132
Br2	1.9132		3.1223	3.1223
Br3	1.9132	3.1223		3.1223
Br4	1.9132	3.1223	3.1223

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.373		Br2	N1	Br4	109.373
Br3	N1	Br4	109.373

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

using model chemistry: wB97X-D/TZVP

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	-0.207
2	Br	0.069
3	Br	0.069
4	Br	0.069

	x	y	z	Total
	0.000	0.000	-0.800	0.800
CHELPG
AIM
ESP

	x	y	z
x	10.803	0.000	0.000
y	0.000	10.806	-0.000
z	0.000	-0.000	5.008

<r²>	380.417
(<r²>)^1/2	19.504

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

using model chemistry: wB97X-D/TZVP

States and conformations

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