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	hartrees
Energy at 0K	-112.399008
Energy at 298.15K	-112.400475
HF Energy	-112.399008
Nuclear repulsion energy	26.313530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3936	3783	0.29
2	Σ	602	579	37.85
3	Π	529	509	182.95
3	Π	529	509	182.95

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.684
O2	0.000	0.000	-1.413
H3	0.000	0.000	-2.377

	Ca1	O2	H3
Ca1		2.0964	3.0606
O2	2.0964		0.9642
H3	3.0606	0.9642

Number	Element	Mulliken
1	Ca	0.749
2	O	-1.092
3	H	0.343

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

using model chemistry: B3LYP/LANL2DZ

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>	42.793
(<r²>)^1/2	6.542