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	hartrees
Energy at 0K	-939.929928
Energy at 298.15K	-939.931824
Nuclear repulsion energy	227.312340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1772	1700
2	A₁	942	904
3	A₁	744	714
4	A₁	442	424
5	B₁	811	778
6	B₁	110	105
7	B₂	1122	1076
8	B₂	677	649
9	B₂	419	402

Atom	y (Å)	z (Å)
C1	0.000	-1.077
O2	0.000	-2.303
Ca3	0.000	1.506
O4	1.147	-0.327
O5	-1.147	-0.327

	C1	O2	Ca3	O4	O5
C1		1.2261	2.5825	1.3707	1.3707
O2	1.2261		3.8085	2.2849	2.2849
Ca3	2.5825	3.8085		2.1621	2.1621
O4	1.3707	2.2849	2.1621		2.2947
O5	1.3707	2.2849	2.1621	2.2947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	123.168
O2	C1	O5	123.168	Ca3	C1	O4	56.832
Ca3	C1	O5	56.832	O4	C1	O5	113.664

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

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

using model chemistry: QCISD(T)/6-31G*

States and conformations

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