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	hartrees
Energy at 0K	-112.278396
Energy at 298.15K	-112.279866
HF Energy	-111.956395
Nuclear repulsion energy	27.175629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3836	3703	27.31
2	Σ	625	604	77.61
3	Π	522	504	159.05
3	Π	522	504	159.05

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.658
O2	0.000	0.000	-1.353
H3	0.000	0.000	-2.326

	Ca1	O2	H3
Ca1		2.0109	2.9841
O2	2.0109		0.9731
H3	2.9841	0.9731

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

using model chemistry: MP2/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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