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	hartrees
Energy at 0K	-111.957214
Energy at 298.15K	-111.958780
HF Energy	-111.957214
Nuclear repulsion energy	27.376114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4197	3779	36.34
2	Σ	638	575	101.47
3	Π	589	530	153.56
3	Π	589	530	153.56

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.655
O2	0.000	0.000	-1.351
H3	0.000	0.000	-2.296

	Ca1	O2	H3
Ca1		2.0058	2.9514
O2	2.0058		0.9456
H3	2.9514	0.9456

Number	Element	Mulliken
1	Ca	0.700
2	O	-1.104
3	H	0.404

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

using model chemistry: HF/SDD

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>	40.652
(<r²>)^1/2	6.376