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	hartrees
Energy at 0K	-2691.170794
Energy at 298.15K	-2691.174345
HF Energy	-2691.170794
Nuclear repulsion energy	141.315951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1555	1474	488.91
2	A'	598	567	104.73
3	A'	313	297	45.38

Atom	x (Å)	y (Å)
N1	0.482	-1.337
Br2	0.000	0.736
O3	-0.422	-2.048

	N1	Br2	O3
N1		2.1280	1.1497
Br2	2.1280		2.8157
O3	1.1497	2.8157

Number	Element	Mulliken
1	N	0.265
2	Br	-0.081
3	O	-0.184

All results from a given calculation for BrNO (Nitrosyl bromide)

using model chemistry: wB97X-D/3-21G*

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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	x	y	z	Total
	0.104	-0.814	0.000	0.821
CHELPG
AIM
ESP

	x	y	z
x	2.499	0.061	0.000
y	0.061	7.264	0.000
z	0.000	0.000	1.976

<r²>	82.917
(<r²>)^1/2	9.106