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	hartrees
Energy at 0K	-940.170827
Energy at 298.15K	-940.172839
Nuclear repulsion energy	232.275636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1828	1728	600.58
2	A₁	984	930	107.20
3	A₁	778	736	41.97
4	A₁	462	437	99.37
5	B₁	867	819	20.32
6	B₁	121	115	26.80
7	B₂	1152	1089	479.25
8	B₂	699	661	0.36
9	B₂	429	406	12.53

Atom	y (Å)	z (Å)
C1	0.000	-1.055
O2	0.000	-2.262
Ca3	0.000	1.464
O4	1.127	-0.303
O5	-1.127	-0.303

	C1	O2	Ca3	O4	O5
C1		1.2079	2.5187	1.3540	1.3540
O2	1.2079		3.7266	2.2599	2.2599
Ca3	2.5187	3.7266		2.0960	2.0960
O4	1.3540	2.2599	2.0960		2.2530
O5	1.3540	2.2599	2.0960	2.2530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	123.695
O2	C1	O5	123.695	Ca3	C1	O4	56.305
Ca3	C1	O5	56.305	O4	C1	O5	112.611

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

using model chemistry: CCSD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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