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	hartrees
Energy at 0K	-939.541183
Energy at 298.15K	-939.542909
Nuclear repulsion energy	220.537582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1654	1582	426.23
2	A₁	865	828	98.65
3	A₁	678	648	0.01
4	A₁	411	393	78.17
5	B₁	742	710	20.91
6	B₁	116	111	44.30
7	B₂	941	900	603.16
8	B₂	636	608	1.61
9	B₂	381	364	11.22

Atom	y (Å)	z (Å)
C1	0.000	-1.124
O2	0.000	-2.378
Ca3	0.000	1.558
O4	1.175	-0.337
O5	-1.175	-0.337

	C1	O2	Ca3	O4	O5
C1		1.2537	2.6816	1.4138	1.4138
O2	1.2537		3.9353	2.3546	2.3546
Ca3	2.6816	3.9353		2.2291	2.2291
O4	1.4138	2.3546	2.2291		2.3490
O5	1.4138	2.3546	2.2291	2.3490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	123.824
O2	C1	O5	123.824	Ca3	C1	O4	56.176
Ca3	C1	O5	56.176	O4	C1	O5	112.351

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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