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	hartrees
Energy at 0K	-299.095564
Energy at 298.15K	-299.097250
Nuclear repulsion energy	158.959848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1615	1556	497.81
2	A₁	841	810	113.37
3	A₁	664	640	2.62
4	A₁	413	398	89.13
5	B₁	734	707	20.09
6	B₁	124	120	47.13
7	B₂	917	884	652.91
8	B₂	613	590	1.82
9	B₂	369	355	12.38

Atom	y (Å)	z (Å)
C1	0.000	-1.143
O2	0.000	-2.401
Ca3	0.000	1.569
O4	1.174	-0.333
O5	-1.174	-0.333

	C1	O2	Ca3	O4	O5
C1		1.2586	2.7120	1.4260	1.4260
O2	1.2586		3.9706	2.3781	2.3781
Ca3	2.7120	3.9706		2.2354	2.2354
O4	1.4260	2.3781	2.2354		2.3477
O5	1.4260	2.3781	2.2354	2.3477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	124.595
O2	C1	O5	124.595	Ca3	C1	O4	55.405
Ca3	C1	O5	55.405	O4	C1	O5	110.811

All results from a given calculation for CaCO₃ (Calcium Carbonate)

using model chemistry: MP2/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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All results from a given calculation for CaCO3 (Calcium Carbonate)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for CaCO₃ (Calcium Carbonate)