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	hartrees
Energy at 0K	-76.271441
Energy at 298.15K	-76.270921
HF Energy	-76.046325
Nuclear repulsion energy	9.199350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3953	3953	15.24
2	A'	2871	2871	7.43
3	A'	1481	1481	46.50

Atom	x (Å)	y (Å)
O1	0.000	0.120
H2	0.748	-0.478
H3	-0.748	-0.478

	O1	H2	H3
O1		0.9572	0.9572
H2	0.9572		1.4951
H3	0.9572	1.4951

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

using model chemistry: CCSD/6-311G**

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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