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	hartrees
Energy at 0K	-3106.740095
Energy at 298.15K
HF Energy	-3106.740095
Nuclear repulsion energy	235.177396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	898	898	18.69
2	A'	671	671	8.73
3	A'	273	273	0.27

Atom	x (Å)	y (Å)
O1	0.000	0.948
Br2	-0.801	-0.651
Cl3	1.649	0.893

	O1	Br2	Cl3
O1		1.7882	1.6504
Br2	1.7882		2.8963
Cl3	1.6504	2.8963

Number	Element	Mulliken
1	O	-0.615
2	Br	0.349
3	Cl	0.266

All results from a given calculation for BrOCl (Bromine hypochlorite)

using model chemistry: ROHF/aug-cc-pVTZ

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
	0.005	-0.916	0.000	0.916
CHELPG
AIM
ESP

<r²>	126.254
(<r²>)^1/2	11.236