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	hartrees
Energy at 0K	-76.460622
Energy at 298.15K	-76.460098
HF Energy	-76.460622
Nuclear repulsion energy	9.143313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3852	3719	26.65
2	A'	2796	2699	12.37
3	A'	1405	1356	60.43

Atom	x (Å)	y (Å)
O1	0.000	0.117
H2	0.764	-0.468
H3	-0.764	-0.468

	O1	H2	H3
O1		0.9625	0.9625
H2	0.9625		1.5280
H3	0.9625	1.5280

Number	Element	Mulliken
1	O	-0.534
2	H	0.267
3	H	0.267

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

using model chemistry: B3LYP/TZVP

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>	5.523
(<r²>)^1/2	2.350