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	hartrees
Energy at 0K	-2620.431571
Energy at 298.15K	-2620.435560
HF Energy	-2620.431571
Nuclear repulsion energy	90.862344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3749	3307	31.67
2	A'	1353	1194	16.13
3	A'	769	679	2.34

Atom	x (Å)	y (Å)
H1	-0.995	1.654
O2	0.023	1.495
Br3	0.023	-0.389

	H1	O2	Br3
H1		1.0302	2.2826
O2	1.0302		1.8842
Br3	2.2826	1.8842

Number	Element	Mulliken
1	H	0.187
2	O	-0.213
3	Br	0.026

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

using model chemistry: PBE1PBE/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
	-1.347	0.483	0.000	1.431
CHELPG
AIM
ESP

	x	y	z
x	0.690	-0.387	0.000
y	-0.387	2.540	0.000
z	0.000	0.000	0.094

<r²>	39.960
(<r²>)^1/2	6.321