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	hartrees
Energy at 0K	-3075.105308
Energy at 298.15K
HF Energy	-3075.105308
Nuclear repulsion energy	216.690646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	696	643	70.31
2	A'	658	608	7.48
3	A'	219	202	0.94

Atom	x (Å)	y (Å)
O1	0.000	1.048
Br2	-0.900	-0.644
Cl3	1.853	0.832

	O1	Br2	Cl3
O1		1.9160	1.8660
Br2	1.9160		3.1240
Cl3	1.8660	3.1240

Number	Element	Mulliken
1	O	-0.048
2	Br	0.125
3	Cl	-0.077

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

using model chemistry: BLYP/STO-3G

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
	-1.181	-0.566	0.000	1.310
CHELPG
AIM
ESP

	x	y	z
x	4.571	1.902	0.000
y	1.902	2.239	0.000
z	0.000	0.000	0.128

<r²>	142.145
(<r²>)^1/2	11.922