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	hartrees
Energy at 0K	-2620.743395
Energy at 298.15K	-2620.747405
HF Energy	-2620.743395
Nuclear repulsion energy	91.805409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3797	3797	27.46
2	A'	1401	1401	14.91
3	A'	815	815	2.61

Atom	x (Å)	y (Å)
H1	-0.988	1.650
O2	0.023	1.478
Br3	0.023	-0.385

	H1	O2	Br3
H1		1.0252	2.2723
O2	1.0252		1.8632
Br3	2.2723	1.8632

Number	Element	Mulliken
1	H	0.189
2	O	-0.226
3	Br	0.037

All results from a given calculation for HOBr (Hypobromous acid)

using model chemistry: M06-2X/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
	-1.377	0.461	0.000	1.452
CHELPG
AIM
ESP

	x	y	z
x	0.697	-0.408	0.000
y	-0.408	2.504	0.000
z	0.000	0.000	0.098

<r²>	39.448
(<r²>)^1/2	6.281