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	hartrees
Energy at 0K	-749.347029
Energy at 298.15K	-749.348366
HF Energy	-749.347029
Nuclear repulsion energy	49.110670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3579	3413	7.91
2	Σ	639	609	28.56
3	Π	434	413	129.46
3	Π	434	413	129.46

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.670
O2	0.000	0.000	-1.378
H3	0.000	0.000	-2.368

	Ca1	O2	H3
Ca1		2.0477	3.0374
O2	2.0477		0.9897
H3	3.0374	0.9897

Number	Element	Mulliken
1	Ca	0.300
2	O	-0.626
3	H	0.326

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

using model chemistry: PBEPBE/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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<r²>	46.293
(<r²>)^1/2	6.804