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	hartrees
Energy at 0K	-929.060210
Energy at 298.15K	-929.061041
Nuclear repulsion energy	216.576824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1699	1481	49.28
2	A₁	896	781	76.88
3	A₁	668	582	20.82
4	A₁	382	333	5.41
5	B₁	597	521	4.14
6	B₁	27	23	1.44
7	B₂	741	646	134.14
8	B₂	399	348	114.70
9	B₂	251	219	191.28

Atom	y (Å)	z (Å)
C1	0.000	-1.096
O2	0.000	-2.368
Ca3	0.000	1.577
O4	1.236	-0.377
O5	-1.236	-0.377

	C1	O2	Ca3	O4	O5
C1		1.2722	2.6731	1.4296	1.4296
O2	1.2722		3.9452	2.3435	2.3435
Ca3	2.6731	3.9452		2.3117	2.3117
O4	1.4296	2.3435	2.3117		2.4711
O5	1.4296	2.3435	2.3117	2.4711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	120.203
O2	C1	O5	120.203	Ca3	C1	O4	59.797
Ca3	C1	O5	59.797	O4	C1	O5	119.594

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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