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	hartrees
Energy at 0K	-76.446301
Energy at 298.15K	-76.445779
HF Energy	-76.446301
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3947	3947	37.93
2	A'	2865	2865	17.33
3	A'	1434	1434	65.66

Atom	x (Å)	y (Å)
O1	0.000	0.116
H2	0.759	-0.465
H3	-0.759	-0.465

	O1	H2	H3
O1		0.9558	0.9558
H2	0.9558		1.5180
H3	0.9558	1.5180

Number	Element	Mulliken
1	O	-0.473
2	H	0.237
3	H	0.237

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

using model chemistry: wB97X-D/aug-cc-pVQZ

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>	5.525
(<r²>)^1/2	2.350