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	hartrees
Energy at 0K	-939.897192
Energy at 298.15K	-939.899172
Nuclear repulsion energy	228.492472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1839	1724	623.00
2	A₁	990	928	108.09
3	A₁	774	726	26.21
4	A₁	453	424	104.87
5	B₁	850	797	29.77
6	B₁	113	106	31.74
7	B₂	1187	1113	544.10
8	B₂	699	655	0.77
9	B₂	429	402	14.00

Atom	y (Å)	z (Å)
C1	0.000	-1.075
O2	0.000	-2.293
Ca3	0.000	1.502
O4	1.136	-0.328
O5	-1.136	-0.328

	C1	O2	Ca3	O4	O5
C1		1.2182	2.5773	1.3600	1.3600
O2	1.2182		3.7955	2.2702	2.2702
Ca3	2.5773	3.7955		2.1543	2.1543
O4	1.3600	2.2702	2.1543		2.2728
O5	1.3600	2.2702	2.1543	2.2728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	123.324
O2	C1	O5	123.324	Ca3	C1	O4	56.676
Ca3	C1	O5	56.676	O4	C1	O5	113.352

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

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

States and conformations

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