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	hartrees
Energy at 0K	-940.257570
Energy at 298.15K	-940.259572
Nuclear repulsion energy	233.505028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1859	1776	708.71
2	A₁	997	953	113.86
3	A₁	791	755	78.59
4	A₁	468	447	110.74
5	B₁	866	827	30.26
6	B₁	120	115	27.13
7	B₂	1179	1126	466.40
8	B₂	700	668	0.17
9	B₂	407	388	16.44

Atom	y (Å)	z (Å)
C1	0.000	-1.054
O2	0.000	-2.258
Ca3	0.000	1.454
O4	1.119	-0.293
O5	-1.119	-0.293

	C1	O2	Ca3	O4	O5
C1		1.2040	2.5077	1.3531	1.3531
O2	1.2040		3.7118	2.2613	2.2613
Ca3	2.5077	3.7118		2.0742	2.0742
O4	1.3531	2.2613	2.0742		2.2375
O5	1.3531	2.2613	2.0742	2.2375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	C1	Ca3	180.000	O2	C1	O4	124.229
O2	C1	O5	124.229	Ca3	C1	O4	55.771
Ca3	C1	O5	55.771	O4	C1	O5	111.542

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

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

States and conformations

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