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	hartrees
Energy at 0K	-748.628889
Energy at 298.15K	-748.630408
HF Energy	-748.493025
Nuclear repulsion energy	48.560118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3646	3439	55.86
2	Σ	680	641	76.68
3	Π	535	504	139.32
3	Π	535	504	139.32

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.678
O2	0.000	0.000	-1.397
H3	0.000	0.000	-2.382

	Ca1	O2	H3
Ca1		2.0752	3.0595
O2	2.0752		0.9843
H3	3.0595	0.9843

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

using model chemistry: CCSD/3-21G*

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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