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	hartrees
Energy at 0K	-76.370335
Energy at 298.15K
HF Energy	-76.292427
Nuclear repulsion energy	9.179250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3907	3907	21.82
2	A'	2836	2836	9.96
3	A'	1479	1479	63.55

Atom	x (Å)	y (Å)
O1	0.000	0.119
H2	0.754	-0.474
H3	-0.754	-0.474

	O1	H2	H3
O1		0.9591	0.9591
H2	0.9591		1.5079
H3	0.9591	1.5079

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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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