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	hartrees
Energy at 0K	-940.301573
Energy at 298.15K	-940.303503
Nuclear repulsion energy	232.617827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1799	1731
2	A₁	953	918
3	A₁	767	738
4	A₁	459	442
5	B₁	831	800
6	B₁	116	112
7	B₂	1104	1062
8	B₂	675	650
9	B₂	397	383

Atom	y (Å)	z (Å)
C1	0.000	-1.055
O2	0.000	-2.266
Ca3	0.000	1.454
O4	1.128	-0.289
O5	-1.128	-0.289

	C1	O2	Ca3	O4	O5
C1		1.2114	2.5086	1.3636	1.3636
O2	1.2114		3.7200	2.2763	2.2763
Ca3	2.5086	3.7200		2.0765	2.0765
O4	1.3636	2.2763	2.0765		2.2570
O5	1.3636	2.2763	2.0765	2.2570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	124.150
O2	C1	O5	124.150	Ca3	C1	O4	55.850
Ca3	C1	O5	55.850	O4	C1	O5	111.700

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

using model chemistry: CCSD(T)/6-311G*

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: CCSD(T)/6-311G*

States and conformations

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