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	hartrees
Energy at 0K	-2705.321176
Energy at 298.15K	-2705.324622
HF Energy	-2705.321176
Nuclear repulsion energy	135.280123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1884	1857	733.73
2	A'	532	524	53.14
3	A'	256	252	29.94

Atom	x (Å)	y (Å)
N1	0.478	-1.409
Br2	0.000	0.764
O3	-0.418	-2.111

	N1	Br2	O3
N1		2.2255	1.1382
Br2	2.2255		2.9060
O3	1.1382	2.9060

Number	Element	Mulliken
1	N	0.107
2	Br	-0.146
3	O	0.039

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

using model chemistry: B97D3/6-311G**

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.010	-2.175	0.000	2.175
CHELPG
AIM
ESP

	x	y	z
x	2.679	-0.082	0.000
y	-0.082	8.901	0.000
z	0.000	0.000	2.093

<r²>	90.371
(<r²>)^1/2	9.506