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	hartrees
Energy at 0K	-76.341038
Energy at 298.15K	-76.340515
HF Energy	-76.057576
Nuclear repulsion energy	9.190603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3934	3709	48.80
2	A'	2854	2690	21.88
3	A'	1422	1340	62.36

Atom	x (Å)	y (Å)
O1	0.000	0.117
H2	0.757	-0.469
H3	-0.757	-0.469

	O1	H2	H3
O1		0.9576	0.9577
H2	0.9576		1.5147
H3	0.9577	1.5147

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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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