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	hartrees
Energy at 0K	-2617.312600
Energy at 298.15K	-2617.316575
HF Energy	-2617.312600
Nuclear repulsion energy	90.464309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3611	3234	30.97
2	A'	1292	1157	19.62
3	A'	749	671	1.52

Atom	x (Å)	y (Å)
H1	-1.013	1.628
O2	0.024	1.495
Br3	0.024	-0.388

	H1	O2	Br3
H1		1.0451	2.2671
O2	1.0451		1.8827
Br3	2.2671	1.8827

Number	Element	Mulliken
1	H	0.189
2	O	-0.209
3	Br	0.019

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

using model chemistry: LSDA/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
	-1.355	0.474	0.000	1.435
CHELPG
AIM
ESP

	x	y	z
x	0.690	-0.353	0.000
y	-0.353	2.449	0.000
z	0.000	0.000	0.089

<r²>	40.138
(<r²>)^1/2	6.335