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	hartrees
Energy at 0K	-76.313875
Energy at 298.15K	-76.313354
HF Energy	-76.057362
Nuclear repulsion energy	9.230913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3985	3705	30.85
2	A'	2894	2691	14.49
3	A'	1482	1378	59.71

Atom	x (Å)	y (Å)
O1	0.000	0.117
H2	0.752	-0.469
H3	-0.752	-0.469

	O1	H2	H3
O1		0.9536	0.9536
H2	0.9536		1.5044
H3	0.9536	1.5044

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

using model chemistry: CISD/cc-pVTZ

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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