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	hartrees
Energy at 0K	-939.812593
Energy at 298.15K	-939.814618
Nuclear repulsion energy	229.580686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1876	1736	681.65
2	A₁	1029	953	101.93
3	A₁	796	737	32.37
4	A₁	460	426	109.97
5	B₁	886	820	38.85
6	B₁	115	107	31.38
7	B₂	1244	1151	576.21
8	B₂	719	665	1.27
9	B₂	433	401	14.84

Atom	y (Å)	z (Å)
C1	0.000	-1.073
O2	0.000	-2.285
Ca3	0.000	1.500
O4	1.125	-0.330
O5	-1.125	-0.330

	C1	O2	Ca3	O4	O5
C1		1.2121	2.5729	1.3483	1.3483
O2	1.2121		3.7850	2.2555	2.2555
Ca3	2.5729	3.7850		2.1485	2.1485
O4	1.3483	2.2555	2.1485		2.2506
O5	1.3483	2.2555	2.1485	2.2506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	123.424
O2	C1	O5	123.424	Ca3	C1	O4	56.576
Ca3	C1	O5	56.576	O4	C1	O5	113.152

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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