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	hartrees
Energy at 0K	-939.937855
Energy at 298.15K	-939.939769
Nuclear repulsion energy	227.033218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1760	1644	683.00
2	A₁	969	905	120.25
3	A₁	753	703	21.64
4	A₁	436	407	114.49
5	B₁	835	780	20.62
6	B₁	108	101	30.87
7	B₂	1135	1060	604.62
8	B₂	681	636	0.54
9	B₂	410	383	17.25

Atom	y (Å)	z (Å)
C1	0.000	-1.087
O2	0.000	-2.310
Ca3	0.000	1.518
O4	1.137	-0.335
O5	-1.137	-0.335

	C1	O2	Ca3	O4	O5
C1		1.2238	2.6045	1.3629	1.3629
O2	1.2238		3.8284	2.2792	2.2792
Ca3	2.6045	3.8284		2.1739	2.1739
O4	1.3629	2.2792	2.1739		2.2739
O5	1.3629	2.2792	2.1739	2.2739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	123.468
O2	C1	O5	123.468	Ca3	C1	O4	56.532
Ca3	C1	O5	56.532	O4	C1	O5	113.064

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

using model chemistry: CCSD/6-31+G**

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/6-31+G**

States and conformations

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