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	hartrees
Energy at 0K	-76.324556
Energy at 298.15K	-76.324036
HF Energy	-76.057133
Nuclear repulsion energy	9.197732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3930	3699	26.57
2	A'	2854	2686	12.23
3	A'	1472	1385	56.95

Atom	y (Å)	z (Å)
O1	0.000	0.117
H2	0.755	-0.469
H3	-0.755	-0.469

	O1	H2	H3
O1		0.9560	0.9560
H2	0.9560		1.5095
H3	0.9560	1.5095

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

using model chemistry: CCSD/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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