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	hartrees
Energy at 0K	-752.672552
Energy at 298.15K	-752.673790
HF Energy	-752.254535
Nuclear repulsion energy	50.325209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4059	4059	25.82
2	Σ	653	653	106.28
3	Π	375	375	118.61
3	Π	375	375	118.61

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.654
O2	0.000	0.000	-1.348
H3	0.000	0.000	-2.298

	Ca1	O2	H3
Ca1		2.0024	2.9522
O2	2.0024		0.9497
H3	2.9522	0.9497

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

using model chemistry: CCSD/6-311G**

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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