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	hartrees
Energy at 0K	-934.802405
Energy at 298.15K	-934.804308
Nuclear repulsion energy	223.908100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1816	1691	607.19
2	A₁	946	881	41.07
3	A₁	735	685	17.91
4	A₁	443	412	110.91
5	B₁	818	762	39.73
6	B₁	121	112	36.91
7	B₂	1076	1003	625.90
8	B₂	681	635	0.15
9	B₂	391	364	12.04

Atom	y (Å)	z (Å)
C1	0.000	-1.114
O2	0.000	-2.343
Ca3	0.000	1.539
O4	1.152	-0.334
O5	-1.152	-0.334

	C1	O2	Ca3	O4	O5
C1		1.2290	2.6530	1.3912	1.3912
O2	1.2290		3.8820	2.3160	2.3160
Ca3	2.6530	3.8820		2.1984	2.1984
O4	1.3912	2.3160	2.1984		2.3033
O5	1.3912	2.3160	2.1984	2.3033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	124.121
O2	C1	O5	124.121	Ca3	C1	O4	55.879
Ca3	C1	O5	55.879	O4	C1	O5	111.757

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

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

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