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	hartrees
Energy at 0K	-752.381474
Energy at 298.15K	-752.382763
HF Energy	-752.176294
Nuclear repulsion energy	48.824519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4009	3703	9.55
2	Σ	645	596	90.98
3	Π	409	378	151.47
3	Π	409	378	151.47

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	-2.350

	Ca1	O2	H3
Ca1		2.0703	3.0259
O2	2.0703		0.9557
H3	3.0259	0.9557

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

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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