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	hartrees
Energy at 0K	-76.425261
Energy at 298.15K	-76.424739
HF Energy	-76.425261
Nuclear repulsion energy	9.177547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3932	3755	39.71
2	A'	2855	2727	18.78
3	A'	1423	1359	64.36

Atom	y (Å)	z (Å)
O1	0.000	0.116
H2	0.762	-0.465
H3	-0.762	-0.465

	O1	H2	H3
O1		0.9584	0.9584
H2	0.9584		1.5242
H3	0.9584	1.5242

Number	Element	Mulliken
1	O	-0.506
2	H	0.253
3	H	0.253

All results from a given calculation for HDO (Water-d1)

using model chemistry: M06-2X/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>	5.408
(<r²>)^1/2	2.326