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	hartrees
Energy at 0K	-752.401169
Energy at 298.15K
HF Energy	-752.183074
Nuclear repulsion energy	48.870121

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.675
O2	0.000	0.000	-1.395
H3	0.000	0.000	-2.345

	Ca1	O2	H3
Ca1		2.0709	3.0204
O2	2.0709		0.9496
H3	3.0204	0.9496

All results from a given calculation for CaOH (Calcium monohydroxide)

using model chemistry: MP3/6-31+G**

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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