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	hartrees
Energy at 0K	-752.279411
Energy at 298.15K	-752.280703
HF Energy	-752.279411
Nuclear repulsion energy	50.200040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4292	3890	71.25
2	Σ	621	563	132.35
3	Π	412	373	103.48
3	Π	412	373	103.48

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.652
O2	0.000	0.000	-1.346
H3	0.000	0.000	-2.277

	Ca1	O2	H3
Ca1		1.9977	2.9295
O2	1.9977		0.9318
H3	2.9295	0.9318

Number	Element	Mulliken
1	Ca	0.734
2	O	-0.929
3	H	0.195

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

using model chemistry: HF/Def2TZVPP

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>	45.550
(<r²>)^1/2	6.749