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	hartrees
Energy at 0K	-939.917980
Energy at 298.15K	-939.919899
Nuclear repulsion energy	227.668382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1792	1674	542.14
2	A₁	953	890	109.72
3	A₁	751	702	19.05
4	A₁	446	417	95.90
5	B₁	822	768	18.46
6	B₁	108	101	31.69
7	B₂	1111	1038	527.84
8	B₂	680	636	0.14
9	B₂	423	395	11.14

Atom	y (Å)	z (Å)
C1	0.000	-1.075
O2	0.000	-2.299
Ca3	0.000	1.503
O4	1.146	-0.326
O5	-1.146	-0.326

	C1	O2	Ca3	O4	O5
C1		1.2244	2.5776	1.3688	1.3688
O2	1.2244		3.8019	2.2814	2.2814
Ca3	2.5776	3.8019		2.1588	2.1588
O4	1.3688	2.2814	2.1588		2.2924
O5	1.3688	2.2814	2.1588	2.2924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	123.135
O2	C1	O5	123.135	Ca3	C1	O4	56.865
Ca3	C1	O5	56.865	O4	C1	O5	113.731

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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