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	hartrees
Energy at 0K	-75.336099
Energy at 298.15K	-75.335581
HF Energy	-75.336099
Nuclear repulsion energy	8.556887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3699	3699	63.17
2	A'	2673	2673	35.46
3	A'	1775	1775	5.44

Atom	x (Å)	y (Å)
O1	0.000	0.137
H2	0.769	-0.549
H3	-0.769	-0.549

	O1	H2	H3
O1		1.0309	1.0309
H2	1.0309		1.5388
H3	1.0309	1.5388

Number	Element	Mulliken
1	O	-0.286
2	H	0.143
3	H	0.143

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

using model chemistry: TPSSh/STO-3G

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>	5.288
(<r²>)^1/2	2.300