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	hartrees
Energy at 0K	-753.285681
Energy at 298.15K	-753.286849
HF Energy	-753.285681
Nuclear repulsion energy	48.933631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3953	3782	7.88
2	Σ	626	599	69.62
3	Π	354	339	139.82
3	Π	354	339	139.82

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.674
O2	0.000	0.000	-1.391
H3	0.000	0.000	-2.348

	Ca1	O2	H3
Ca1		2.0648	3.0215
O2	2.0648		0.9567
H3	3.0215	0.9567

Number	Element	Mulliken
1	Ca	0.584
2	O	-0.956
3	H	0.372

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

using model chemistry: B3PW91/6-31G*

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>	46.426
(<r²>)^1/2	6.814