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	hartrees
Energy at 0K	-75.276471
Energy at 298.15K	-75.274605
Nuclear repulsion energy	4.178634

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.113
H2	0.000	0.000	-0.901

	O1	H2
O1		1.0131
H2	1.0131

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.340
2	H	0.340

	x	y	z	Total
	0.000	0.000	-1.839	1.839
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/3-21G*

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>	4.143
(<r²>)^1/2	2.035