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	hartrees
Energy at 0K	-752.429988
Energy at 298.15K	-752.431298
HF Energy	-752.198816
Nuclear repulsion energy	47.959644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4054	3786	16.39
2	Σ	586	547	108.02
3	Π	434	406	171.12
3	Π	434	406	171.12

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.689
O2	0.000	0.000	-1.424
H3	0.000	0.000	-2.379

	Ca1	O2	H3
Ca1		2.1127	3.0675
O2	2.1127		0.9548
H3	3.0675	0.9548

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

using model chemistry: CCSD/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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