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	hartrees
Energy at 0K	-940.164392
Energy at 298.15K	-940.166354
Nuclear repulsion energy	231.643051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1798	1698	560.43
2	A₁	955	902	114.33
3	A₁	760	718	40.27
4	A₁	456	431	95.11
5	B₁	840	793	13.54
6	B₁	117	110	27.36
7	B₂	1096	1035	498.21
8	B₂	685	647	0.03
9	B₂	426	402	10.23

Atom	y (Å)	z (Å)
C1	0.000	-1.055
O2	0.000	-2.267
Ca3	0.000	1.464
O4	1.135	-0.301
O5	-1.135	-0.301

	C1	O2	Ca3	O4	O5
C1		1.2126	2.5181	1.3622	1.3622
O2	1.2126		3.7307	2.2703	2.2703
Ca3	2.5181	3.7307		2.0975	2.0975
O4	1.3622	2.2703	2.0975		2.2692
O5	1.3622	2.2703	2.0975	2.2692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	123.605
O2	C1	O5	123.605	Ca3	C1	O4	56.395
Ca3	C1	O5	56.395	O4	C1	O5	112.791

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

using model chemistry: MP2/6-31G(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: MP2/6-31G(2df,p)

States and conformations

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