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	hartrees
Energy at 0K	-76.398817
Energy at 298.15K	-76.398295
HF Energy	-76.398817
Nuclear repulsion energy	9.170131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3900	3749	21.43
2	A'	2831	2722	9.85
3	A'	1464	1408	63.14

Atom	x (Å)	y (Å)
O1	0.000	0.119
H2	0.755	-0.474
H3	-0.755	-0.474

	O1	H2	H3
O1		0.9600	0.9600
H2	0.9600		1.5099
H3	0.9600	1.5099

Number	Element	Mulliken
1	O	-0.622
2	H	0.311
3	H	0.311

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

using model chemistry: B3PW91/6-31G(2df,p)

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>	5.295
(<r²>)^1/2	2.301