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	hartrees
Energy at 0K	-53.586981
Energy at 298.15K	-53.588695
Nuclear repulsion energy	61.121064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1597	1559	514.75
2	A₁	831	811	129.76
3	A₁	667	651	3.37
4	A₁	381	372	85.12
5	B₁	709	692	19.89
6	B₁	118	115	52.42
7	B₂	940	917	649.40
8	B₂	617	603	6.11
9	B₂	411	401	12.63

Atom	y (Å)	z (Å)
C1	0.000	-1.096
O2	0.000	-2.359
Ca3	0.000	1.494
O4	1.174	-0.277
O5	-1.174	-0.277

	C1	O2	Ca3	O4	O5
C1		1.2627	2.5899	1.4314	1.4314
O2	1.2627		3.8526	2.3899	2.3899
Ca3	2.5899	3.8526		2.1245	2.1245
O4	1.4314	2.3899	2.1245		2.3477
O5	1.4314	2.3899	2.1245	2.3477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	124.907
O2	C1	O5	124.907	Ca3	C1	O4	55.093
Ca3	C1	O5	55.093	O4	C1	O5	110.186

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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