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	hartrees
Energy at 0K	-940.273169
Energy at 298.15K	-940.275136
Nuclear repulsion energy	232.859155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1816	1732	648.79
2	A₁	973	929	105.01
3	A₁	774	738	60.74
4	A₁	462	440	95.89
5	B₁	847	808	24.93
6	B₁	119	114	25.45
7	B₂	1125	1073	393.50
8	B₂	684	652	0.13
9	B₂	399	381	13.67

Atom	y (Å)	z (Å)
C1	0.000	-1.055
O2	0.000	-2.264
Ca3	0.000	1.456
O4	1.123	-0.293
O5	-1.123	-0.293

	C1	O2	Ca3	O4	O5
C1		1.2086	2.5119	1.3577	1.3577
O2	1.2086		3.7204	2.2687	2.2687
Ca3	2.5119	3.7204		2.0789	2.0789
O4	1.3577	2.2687	2.0789		2.2465
O5	1.3577	2.2687	2.0789	2.2465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	124.172
O2	C1	O5	124.172	Ca3	C1	O4	55.828
Ca3	C1	O5	55.828	O4	C1	O5	111.657

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

using model chemistry: QCISD/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: QCISD/6-311G**

States and conformations

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