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	hartrees
Energy at 0K	-76.394964
Energy at 298.15K	-76.394440
HF Energy	-76.394964
Nuclear repulsion energy	9.149601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3956	3767	49.91
2	A'	2870	2733	23.36
3	A'	1398	1331	85.93

Atom	x (Å)	y (Å)
O1	0.000	0.115
H2	0.769	-0.462
H3	-0.769	-0.462

	O1	H2	H3
O1		0.9615	0.9615
H2	0.9615		1.5381
H3	0.9615	1.5381

Number	Element	Mulliken
1	O	-0.739
2	H	0.369
3	H	0.369

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

using model chemistry: M06-2X/6-31+G**

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>	5.564
(<r²>)^1/2	2.359