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	hartrees
Energy at 0K	-76.063178
Energy at 298.15K	-76.062660
HF Energy	-76.063178
Nuclear repulsion energy	9.359051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4185	3793	53.43
2	A'	3040	2755	26.16
3	A'	1533	1389	76.28

Atom	y (Å)	z (Å)
O1	0.000	0.113
H2	0.751	-0.452
H3	-0.751	-0.452

	O1	H2	H3
O1		0.9400	0.9400
H2	0.9400		1.5016
H3	0.9400	1.5016

Number	Element	Mulliken
1	O	-0.450
2	H	0.225
3	H	0.225

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

using model chemistry: HF/Def2TZVPP

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>	5.328
(<r²>)^1/2	2.308