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	hartrees
Energy at 0K	-76.333217
Energy at 298.15K	-76.332694
HF Energy	-76.333217
Nuclear repulsion energy	9.049052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3762	3710	9.00
2	A'	2730	2693	3.88
3	A'	1433	1414	53.84

Atom	x (Å)	y (Å)
O1	0.000	0.121
H2	0.760	-0.486
H3	-0.760	-0.486

	O1	H2	H3
O1		0.9731	0.9731
H2	0.9731		1.5205
H3	0.9731	1.5205

Number	Element	Mulliken
1	O	-0.600
2	H	0.300
3	H	0.300

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

using model chemistry: PBEPBE/6-31G**

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>	5.391
(<r²>)^1/2	2.322