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	hartrees
Energy at 0K	-7777.291348
Energy at 298.15K
HF Energy	-7777.291348
Nuclear repulsion energy	832.131814

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	449	429	1.41	20.28	0.03	0.05
2	A₁	231	220	0.33	11.10	0.12	0.22
3	E	650	621	22.59	7.73	0.75	0.86
3	E	650	621	22.61	7.75	0.75	0.86
4	E	161	154	0.13	4.00	0.75	0.86
4	E	161	154	0.14	4.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.600
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		1.9003	1.9003	1.9003
Br2	1.9003		3.0994	3.0994
Br3	1.9003	3.0994		3.0994
Br4	1.9003	3.0994	3.0994

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	N1	Br3	109.269		Br2	N1	Br4	109.269
Br3	N1	Br4	109.269

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

using model chemistry: wB97X-D/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	-0.140
2	Br	0.047
3	Br	0.047
4	Br	0.047

	x	y	z	Total
	0.000	0.000	-0.633	0.633
CHELPG
AIM
ESP

<r²>	375.367
(<r²>)^1/2	19.374

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

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

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