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	hartrees
Energy at 0K	-940.049138
Energy at 298.15K	-940.050975
HF Energy	-939.314821
Nuclear repulsion energy	221.690251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1754	1662	599.60
2	A₁	960	910	24.94
3	A₁	732	694	39.01
4	A₁	429	406	182.29
5	B₁	808	766	11.70
6	B₁	108	102	36.47
7	B₂	1107	1050	782.76
8	B₂	664	629	0.04
9	B₂	360	341	13.50

Atom	y (Å)	z (Å)
C1	0.000	-1.131
O2	0.000	-2.352
Ca3	0.000	1.587
O4	1.144	-0.383
O5	-1.144	-0.383

	C1	O2	Ca3	O4	O5
C1		1.2211	2.7183	1.3669	1.3669
O2	1.2211		3.9394	2.2774	2.2774
Ca3	2.7183	3.9394		2.2783	2.2783
O4	1.3669	2.2774	2.2783		2.2881
O5	1.3669	2.2774	2.2783	2.2881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	123.180
O2	C1	O5	123.180	Ca3	C1	O4	56.820
Ca3	C1	O5	56.820	O4	C1	O5	113.640

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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