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	hartrees
Energy at 0K	-75.713851
Energy at 298.15K
HF Energy	-75.650313
Nuclear repulsion energy	4.360857

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.108
H2	0.000	0.000	-0.862

	O1	H2
O1		0.9701
H2	0.9701

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.243
2	H	0.243

	x	y	z
x	0.596	0.000	0.000
y	0.000	0.562	0.000
z	0.000	0.000	1.041

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

using model chemistry: B2PLYP/cc-pVTZ

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>	4.256
(<r²>)^1/2	2.063