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	hartrees
Energy at 0K	-16.827393
Energy at 298.15K	-16.826872
HF Energy	-16.827393
Nuclear repulsion energy	6.976929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4129	3722	39.32
2	A'	2991	2696	15.99
3	A'	1494	1347	92.98

Atom	x (Å)	y (Å)
O1	0.000	0.108
H2	0.790	-0.430
H3	-0.790	-0.430

	O1	H2	H3
O1		0.9560	0.9561
H2	0.9560		1.5807
H3	0.9561	1.5807

Number	Element	Mulliken
1	O	-0.741
2	H	0.370
3	H	0.370

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

using model chemistry: HF/CEP-31G

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>	5.413
(<r²>)^1/2	2.327