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	hartrees
Energy at 0K	-929.136763
Energy at 298.15K
Nuclear repulsion energy	213.191607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1615	1615
2	A₁	798	798
3	A₁	621	621
4	A₁	332	332
5	B₁	536	536
6	B₁	41i	41i
7	B₂	623	623
8	B₂	464	464
9	B₂	219i	219i

Atom	y (Å)	z (Å)
C1	0.000	-1.118
O2	0.000	-2.394
Ca3	0.000	1.600
O4	1.263	-0.383
O5	-1.263	-0.383

	C1	O2	Ca3	O4	O5
C1		1.2758	2.7177	1.4616	1.4616
O2	1.2758		3.9935	2.3746	2.3746
Ca3	2.7177	3.9935		2.3512	2.3512
O4	1.4616	2.3746	2.3512		2.5269
O5	1.4616	2.3746	2.3512	2.5269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	120.181
O2	C1	O5	120.181	Ca3	C1	O4	59.819
Ca3	C1	O5	59.819	O4	C1	O5	119.639

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

using model chemistry: MP4/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: MP4/STO-3G

States and conformations

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