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	hartrees
Energy at 0K	-75.892567
Energy at 298.15K	-75.892047
HF Energy	-75.892567
Nuclear repulsion energy	8.882968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3577	3435	3.04
2	A'	2593	2490	2.59
3	A'	1489	1430	42.92

Atom	x (Å)	y (Å)
O1	0.000	0.121
H2	0.784	-0.485
H3	-0.784	-0.485

	O1	H2	H3
O1		0.9908	0.9908
H2	0.9908		1.5672
H3	0.9908	1.5672

Number	Element	Mulliken
1	O	-0.671
2	H	0.336
3	H	0.336

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

using model chemistry: PBE1PBE/3-21G

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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<r²>	5.326
(<r²>)^1/2	2.308