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	hartrees
Energy at 0K	-939.928372
Energy at 298.15K	-939.930267
Nuclear repulsion energy	227.425278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1778	1710
2	A₁	947	911
3	A₁	747	719
4	A₁	443	426
5	B₁	814	784
6	B₁	110	106
7	B₂	1092	1051
8	B₂	673	648
9	B₂	419	403

Atom	y (Å)	z (Å)
C1	0.000	-1.076
O2	0.000	-2.302
Ca3	0.000	1.505
O4	1.146	-0.327
O5	-1.146	-0.327

	C1	O2	Ca3	O4	O5
C1		1.2255	2.5817	1.3696	1.3696
O2	1.2255		3.8072	2.2834	2.2834
Ca3	2.5817	3.8072		2.1614	2.1614
O4	1.3696	2.2834	2.1614		2.2927
O5	1.3696	2.2834	2.1614	2.2927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	123.172
O2	C1	O5	123.172	Ca3	C1	O4	56.828
Ca3	C1	O5	56.828	O4	C1	O5	113.655

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

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

States and conformations

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