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	hartrees
Energy at 0K	-76.136591
Energy at 298.15K	-76.136068
HF Energy	-76.009535
Nuclear repulsion energy	8.980355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3781	3650	16.91
2	A'	2734	2639	5.55
3	A'	1425	1375	87.75

Atom	x (Å)	y (Å)
O1	0.000	0.111
H2	0.804	-0.446
H3	-0.804	-0.446

	O1	H2	H3
O1		0.9787	0.9787
H2	0.9787		1.6088
H3	0.9787	1.6088

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

using model chemistry: MP2/SDD

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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