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	hartrees
Energy at 0K	-74.970228
Energy at 298.15K	-74.966709
Nuclear repulsion energy	4.293729

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.110
H2	0.000	0.000	-0.876

	O1	H2
O1		0.9860
H2	0.9860

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.370	-0.417
2	H	0.370	0.417

	x	y	z	Total
	0.000	0.000	-1.986	1.986
CHELPG	0.000	0.000	-1.974	1.974
AIM
ESP

All results from a given calculation for DO (Hydroxyl-d)

using model chemistry: HF/3-21G*

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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<r²>	4.098
(<r²>)^1/2	2.024