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	hartrees
Energy at 0K	-76.443101
Energy at 298.15K	-76.442577
HF Energy	-76.443101
Nuclear repulsion energy	9.049459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3709	3700	16.59
2	A'	2692	2685	7.33
3	A'	1379	1376	53.34

Atom	x (Å)	y (Å)
O1	0.000	0.119
H2	0.769	-0.477
H3	-0.769	-0.477

	O1	H2	H3
O1		0.9726	0.9726
H2	0.9726		1.5371
H3	0.9726	1.5371

Number	Element	Mulliken
1	O	-0.521
2	H	0.261
3	H	0.261

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

using model chemistry: BLYP/TZVP

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>	5.610
(<r²>)^1/2	2.369