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	hartrees
Energy at 0K	-76.197587
Energy at 298.15K	-76.197068
HF Energy	-76.010047
Nuclear repulsion energy	9.114969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3884	3588	20.69
2	A'	2819	2604	9.74
3	A'	1540	1423	77.32

Atom	x (Å)	y (Å)
O1	0.000	0.119
H2	0.762	-0.474
H3	-0.762	-0.474

	O1	H2	H3
O1		0.9657	0.9657
H2	0.9657		1.5250
H3	0.9657	1.5250

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

using model chemistry: CID/6-31G*

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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