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	hartrees
Energy at 0K	-76.333670
Energy at 298.15K	-76.333149
HF Energy	-76.060496
Nuclear repulsion energy	9.179832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3910	3737	35.15
2	A'	2838	2713	15.97
3	A'	1455	1390	62.06

Atom	y (Å)	z (Å)
O1	0.000	0.117
H2	0.759	-0.467
H3	-0.759	-0.467

	O1	H2	H3
O1		0.9579	0.9579
H2	0.9579		1.5189
H3	0.9579	1.5189

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

using model chemistry: CCSD/aug-cc-pVTZ

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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